Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl 3-(morpholin-4-yl)propanoate
Catalog ID
STL526384
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCOCC1
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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 C28H43NO4 MW 457.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43NO4/c1-19(30)23-6-7-24-22-5-4-20-18-21(33-26(31)10-13-29-14-16-32-17-15-29)8-11-27(20,2)25(22)9-12-28(23,24)3/h6,20-22,24-25H,4-5,7-18H2,1-3H3/t20-,21?,22?,24?,25?,27-,28+/m0/s1InChIKey
RCYUNIOUJXNLAZ-IOWLOKNMSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3morpholin4ylpropanoate
(3R5S8R9S10S13S14S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3yl3morpholinopropanoate
(5alpha8xi9xi14xi)20oxopregn16en3yl3(morpholin4yl)propanoate
132286029
InChI=1SC28H43NO4c119(30)2367242254201821(3326(31)101329141632171529)81127(202)25(22)91228(2324)3h620222425H45718H213H3t2021?22?24?25?2728+m0s1
MFCD02058084
O=C(O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC=C2C(=O)C)C)C)CCN1CCOCC1
ZINC000888089258
ZINC000888089261
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