Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Catalog ID
STL526890
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C37H46N2O8 MW 646.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N2O8/c1-35-15-12-24(40)19-23(35)8-9-26-27(35)13-16-36(2)28(26)14-17-37(36,45)31(41)21-47-33(43)11-10-32(42)39-30(34(44)46-3)18-22-20-38-29-7-5-4-6-25(22)29/h4-7,19-20,26-28,30,38,45H,8-18,21H2,1-3H3,(H,39,42)/t26?,27?,28?,30?,35-,36-,37-/m0InChIKey
IBVOOZDRGGOZSS-CKHUCFSESA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((3(1~(H)indol3yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(1Hindol3yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
44660946
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC37H46N2O8c135151224(40)1923(35)892627(35)131636(2)28(26)141737(3645)31(41)214733(43)111032(42)3930(34(44)463)1822203829754625(22)29h4719202628303845H81821H213H3(H3942)t26?27?28?30?353637m0s1
methylN(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)tryptophanate
MFCD03005720
ZINC000253487294
ZINC000257360805
Check stock
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