Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl 3-(pyrrolidin-1-yl)propanoate
Catalog ID
STL526833
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)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 C28H43NO3 MW 441.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43NO3/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/h8,20-22,24-25H,4-7,9-18H2,1-3H3/t20-,21?,22?,24?,25?,27-,28+/m0/s1InChIKey
LCHQKKCWNVVBHJ-IOWLOKNMSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3pyrrolidin1ylpropanoate
(5alpha8xi9xi14xi)20oxopregn16en3yl3(pyrrolidin1yl)propanoate
(5S10S13S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3yl3(pyrrolidin1yl)propanoatehydrobromide
16397568
InChI=1SC28H43NO3c119(30)2389242276201821(3226(31)12172915451629)101327(202)25(22)111428(2324)3h820222425H47918H213H3t2021?22?24?25?2728+m0s1
MFCD03006517
O=C(OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC=C2C(=O)C)C)C)CCN1CCCC1Br
ZINC000002087637
ZINC000253502148
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