Vitas-M small molecule compound
(8xi,9xi,14xi,20E)-20-[(acetyloxy)imino]pregna-5,16-dien-3-yl acetate
Catalog ID
STL525507
SMILES CC(=O)O/N=C(/C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)\C
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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 C25H35NO4 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO4/c1-15(26-30-17(3)28)21-8-9-22-20-7-6-18-14-19(29-16(2)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23H,7,9-14H2,1-5H3/b26-15+/t19?,20?,22?,23?,24-,25+/m0/s1InChIKey
IYRSSYWRXNNHCW-BTFWIZSNSA-NSynonyms
((10~(R)13~(S))17((~(E))~(N)acetyloxy~(C)methylcarbonimidoyl)1013dimethyl23478911121415decahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(3S8R9S10R13S14S)17((E)1(acetoxyimino)ethyl)1013dimethyl234789101112131415dodecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi20E)20((acetyloxy)imino)pregna516dien3ylacetate
75356887
CC(=O)ON=C(C1=CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C
InChI=1SC25H35NO4c115(263017(3)28)2189222076181419(2916(2)27)101224(184)23(20)111325(2122)5h6819202223H7914H215H3b2615+t19?20?22?23?2425+m0s1
MFCD01881930
ZINC000253534423
ZINC000253534426
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