Vitas-M small molecule compound

3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552560
SMILES COc1ccc2c(c1)C(CCNC(=O)CC(c1c(O)cc3c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c1cc(OC)c(c(c1)OC)OC)C(=O)N2

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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 C41H48N2O11 MW 744.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H48N2O11/c1-23-10-9-13-26(44)12-8-6-7-11-24-18-32(45)37(38(47)36(24)41(49)54-23)29(25-19-33(51-3)39(53-5)34(20-25)52-4)22-35(46)42-17-16-28-30-21-27(50-2)14-15-31(30)43-40(28)48/h7,11,14-15,18-21,23,28-29,45,47H,6,8-10,12-13,16-17,22H2,1-5H3,(
InChIKey
YQPGYJBHGRVZLL-ZBMUMPTMSA-N
Synonyms

135640775
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(5methoxy2oxo23dihydro1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(5methoxy2oxo13dihydroindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(5methoxy2oxoindolin3yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1ccc2c(c1)C(CCNC(=O)CC(c1c(O)cc3c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C3)c1cc(OC)c(c(c1)OC)OC)C(=O)N2
InChI=1SC41H48N2O11c1231091326(44)1286711241832(45)37(38(47)36(24)41(49)5423)29(251933(513)39(535)34(2025)524)2235(46)42171628302127(502)141531(30)4340(28)48h711141518212328294547H68101213161722H215H3(H4246)(H4348)b117+t2328?29?m0s1
ZINC001547139715
ZINC001547139718

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Available files

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