Vitas-M small molecule compound

(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-21-(acetyloxy)-8-(3,5-dimethylbenzyl)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2-chloro

Catalog ID
STL528582
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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)Cc1cc(C)cc(c1)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 C53H58ClNO13 MW 952.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C53H58ClNO13/c1-25-21-26(2)23-34(22-25)24-36-42-46(60)40-39(45(36)59)41-49(32(8)48(40)67-52(63)35-17-12-13-18-37(35)54)68-53(10,50(41)61)65-20-19-38(64-11)29(5)47(66-33(9)56)31(7)44(58)30(6)43(57)27(3)15-14-16-28(4)51(62)55-42/h12-23,27,29-31,38,
InChIKey
GOURNRSYZGPZPD-XHPRYSGFSA-N
Synonyms

((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))13acetyloxy26((35dimethylphenyl)methyl)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2c
(2S12Z14E16S17S18R19S20S21S22R23S24E)21(acetyloxy)8(35dimethylbenzyl)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2chloro
44660460
InChI=1SC53H58ClNO13c1252126(2)2334(2225)24364246(60)4039(45(36)59)4149(32(8)48(40)6752(63)351712131837(35)54)6853(1050(41)61)65201938(6411)29(5)47(6633(9)56)31(7)44(58)30(6)43(57)27(3)15141628(4)51(62)5542h1223272931384344475758H24H2111H3(H5562)b151
MFCD04072608
ZINC000254744905
ZINC253487196

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Available files

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