Vitas-M small molecule compound
(8xi,9xi,14xi)-20-oxopregna-3,16-dien-3-yl 3-(pyrrolidin-1-yl)propanoate
Catalog ID
STL526614
SMILES O=C(OC1=CC2[C@@](CC1)(C)C1CC[C@]3(C(C1CC2)CC=C3C(=O)C)C)CCN1CCCC1
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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 C28H41NO3 MW 439.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41NO3/c1-19(30)23-8-9-24-22-7-6-20-18-21(32-26(31)12-17-29-15-4-5-16-29)10-13-27(20,2)25(22)11-14-28(23,24)3/h8,18,20,22,24-25H,4-7,9-17H2,1-3H3/t20?,22?,24?,25?,27-,28+/m0/s1InChIKey
LISUREDJGUCUNG-YIQVVDBVSA-NSynonyms
((10~(R)13~(S))17acetyl1013dimethyl25678911121415decahydro1~(H)cyclopenta(a)phenanthren3yl)3pyrrolidin1ylpropanoate
(8R9S10R13S14S)17acetyl1013dimethyl256789101112131415dodecahydro1Hcyclopenta(a)phenanthren3yl3(pyrrolidin1yl)propanoatehydrochloride
(8xi9xi14xi)20oxopregna316dien3yl3(pyrrolidin1yl)propanoate
135639178
InChI=1SC28H41NO3c119(30)2389242276201821(3226(31)12172915451629)101327(202)25(22)111428(2324)3h81820222425H47917H213H3t20?22?24?25?2728+m0s1
MFCD03006327
O=C(OC1=CC2(C@@)(CC1)(C)(C@H)1CC(C@)3((C@H)((C@@H)1CC2)CC=C3C(=O)C)C)CCN1CCCC1Cl
ZINC001772492432
ZINC001772492435
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