Vitas-M small molecule compound
(3Z,8xi,9xi,14xi)-3-({2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethoxy}imino)androst-4-en-17-yl propanoate
Catalog ID
STL536872
SMILES CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)ON3C(=O)CCC3=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 C28H38N2O7 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O7/c1-4-25(33)36-22-8-7-20-19-6-5-17-15-18(11-13-27(17,2)21(19)12-14-28(20,22)3)29-35-16-26(34)37-30-23(31)9-10-24(30)32/h15,19-22H,4-14,16H2,1-3H3/b29-18-/t19?,20?,21?,22?,27-,28-/m0/s1InChIKey
DAFQGATXWUFLLN-XZHDXSDBSA-NSynonyms
((3~(Z)10~(R)13~(S))3(2(25dioxopyrrolidin1yl)oxy2oxoethoxy)imino1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)propanoate
(10R13SZ)3((2((25dioxopyrrolidin1yl)oxy)2oxoethoxy)imino)1013dimethyl2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ylpropionate
(3Z8xi9xi14xi)3((2((25dioxopyrrolidin1yl)oxy)2oxoethoxy)imino)androst4en17ylpropanoate
16404362
CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)ON3C(=O)CCC3=O)CC(C@)12C
InChI=1SC28H38N2O7c1425(33)362287201965171518(111327(172)21(19)121428(2022)3)29351626(34)373023(31)91024(30)32h151922H41416H213H3b2918t19?20?21?22?2728m0s1
MFCD06766865
ZINC000070700465
ZINC000253498988
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