Vitas-M small molecule compound

(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL528941
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]c2c1cccc2

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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 C35H42N2O7 MW 602.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N2O7/c1-33-14-11-23(38)17-22(33)7-8-25-26-12-15-35(43,34(26,2)18-28(39)32(25)33)29(40)20-44-31(42)10-9-30(41)36-16-13-21-19-37-27-6-4-3-5-24(21)27/h3-6,17,19,25-26,32,37,43H,7-16,18,20H2,1-2H3,(H,36,41)/t25?,26?,32?,33-,34-,35-/m0/s1
InChIKey
PGVGEKBYSWMLLF-OTAGNNCFSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4(2(1~(H)indol3yl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy31120trioxopregn4en21yl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
16404172
2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
InChI=1SC35H42N2O7c133141123(38)1722(33)782526121535(4334(262)1828(39)32(25)33)29(40)204431(42)10930(41)36161321193727643524(21)27h3617192526323743H7161820H212H3(H3641)t25?26?32?333435m0s1
MFCD05737636
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C)NCCc1c(nH)c2c1cccc2
ZINC000070700123
ZINC000253503474

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Available files

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