Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi)-3-oxoandrostan-17-yl 4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate

Catalog ID
STL537655
SMILES O=C(OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(=O)C2)CCC(=O)ON1C(=O)CCC1=O

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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 C27H37NO7 MW 487.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO7/c1-26-13-11-17(29)15-16(26)3-4-18-19-5-6-21(27(19,2)14-12-20(18)26)34-24(32)9-10-25(33)35-28-22(30)7-8-23(28)31/h16,18-21H,3-15H2,1-2H3/t16-,18?,19?,20?,21?,26-,27-/m0/s1
InChIKey
CARPGULQCHTENP-LUYOKZCZSA-N
Synonyms

(5alpha8xi9xi14xi)3oxoandrostan17yl4((25dioxopyrrolidin1yl)oxy)4oxobutanoate
(5S10S13S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl(25dioxopyrrolidin1yl)succinate
1~(O)((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)4~(O)(25dioxopyrrolidin1yl)butanedioate
16404756
InChI=1SC27H37NO7c126131117(29)1516(26)3418195621(27(192)141220(18)26)3424(32)91025(33)352822(30)7823(28)31h161821H315H212H3t1618?19?20?21?2627m0s1
MFCD06767994
O=C(OC1CCC2(C@)1(C)CCC1C2CC(C@@H)2(C@)1(C)CCC(=O)C2)CCC(=O)ON1C(=O)CCC1=O
ZINC000070700952
ZINC000253498969

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Available files

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