Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-[(tetrahydrofuran-2-ylmethyl)amino]-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acet
Catalog ID
STL558149
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)NCC1CCCO1
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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 C42H54N2O13 MW 794.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H54N2O13/c1-19-12-10-13-20(2)41(52)44-32-31(43-18-26-14-11-16-54-26)36(49)28-29(37(32)50)35(48)24(6)39-30(28)40(51)42(8,57-39)55-17-15-27(53-9)21(3)38(56-25(7)45)23(5)34(47)22(4)33(19)46/h10,12-13,15,17,19,21-23,26-27,33-34,38,43,46-48H,11,14,InChIKey
MQJLPWFRJVAPSQ-IZVXTGONSA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26(oxolan2ylmethylamino)830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8((tetrahydrofuran2ylmethyl)amino)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacet
16398511
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)NCC1CCCO1
InChI=1SC42H54N2O13c11912101320(2)41(52)443231(4318261411165426)36(49)2829(37(32)50)35(48)24(6)3930(28)40(51)42(85739)55171527(539)21(3)38(5625(7)45)23(5)34(47)22(4)33(19)46h10121315171921232627333438434648H11141618H219H3(H4452)b1210+1715+2013t1921+2
MFCD03850060
ZINC001286671821
ZINC001286671822
Check stock
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