Vitas-M small molecule compound

(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22S,23S,24Z)-17,19,21-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-butoxybenzoate

Catalog ID
STL558123
SMILES CCCCOc1ccc(cc1)C(=O)Oc1c(C)c2O[C@]3(C(=O)c2c2c1C(=O)C(=C(C2=O)N1CCCCC1)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H](/C=C\O3)OC)C)O)C)O)C)/C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C51H64N2O13 MW 913.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H64N2O13/c1-10-11-25-63-34-20-18-33(19-21-34)50(61)65-46-32(7)47-38-36-37(46)44(57)39(40(45(36)58)53-23-13-12-14-24-53)52-49(60)28(3)17-15-16-27(2)41(54)30(5)43(56)31(6)42(55)29(4)35(62-9)22-26-64-51(8,66-47)48(38)59/h15-22,26-27,29-31,35,41-4
InChIKey
IAVSCKGCLSKJKR-CYWLUXAMSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))131517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26piperidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4butoxybenzoate
(2S12Z14Z16S17S18R19S20S21S22S23S24Z)171921trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4butoxybenzoate
43915135
CCCCOc1ccc(cc1)C(=O)Oc1c(C)c2O(C@)3(C(=O)c2c2c1C(=O)C(=C(C2=O)N1CCCCC1)NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@H)((C@@H)((C@@H)((C@@H)((C@@H)((C@H)(C=CO3)OC)C)O)C)O)C)C)C
InChI=1SC51H64N2O13c11011256334201833(192134)50(61)654632(7)47383637(46)44(57)39(40(45(36)58)53231312142453)5249(60)28(3)17151627(2)41(54)30(5)43(56)31(6)42(55)29(4)35(629)22266451(86647)48(38)59h1522262729313541435456H10142325H219H3(H5260)b161526222
OIMINO)NAPHTHO(21B)FURAN5YL4BUTOXYBENZOATE
ZINC000254592814

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Available files

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