Vitas-M small molecule compound
(8xi,14xi,17xi)-14-hydroxy-3-(nitrooxy)card-20(22)-enolide
Catalog ID
STL524911
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2[C@]1(C)CCC(C2)O[N+](=O)[O-])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 C23H33NO6 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO6/c1-21-8-5-16(30-24(27)28)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)29-13-14/h11,15-19,26H,3-10,12-13H2,1-2H3/t15?,16?,17?,18-,19?,21-,22+,23?/m0/s1InChIKey
BWUSBASZYFDEMR-XHQQTZIXSA-NSynonyms
((9~(S)10~(S)13~(R))14hydroxy1013dimethyl17(5oxo2~(H)furan3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)nitrate
(3S5R8R9S10S13R14S17R)14hydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3ylnitrate
(8xi14xi17xi)14hydroxy3(nitrooxy)card20(22)enolide
44667032
InChI=1SC23H33NO6c1218516(3024(27)28)1215(21)341918(21)6922(2)17(71023(1922)26)141120(25)291314h11151926H3101213H212H3t15?16?17?1819?2122+23?m0s1
MFCD02057792
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@@H)(C2)O(N+)(=O)(O))O
ZINC000005921035
ZINC000253501625
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