Vitas-M small molecule compound
1-[(2S,4aR,6aS,6bS,7aR)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6b(1H)-yl]ethanone
Catalog ID
STK674579
SMILES O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@H]3[C@]2(N3)C(=O)C)C)C1)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H31NO2 MW 329.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31NO2/c1-12(23)21-18(22-21)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,22,24H,5-11H2,1-3H3/t14-,15?,16?,17?,18+,19-,20-,21+/m0/s1InChIKey
JCVZVRIXWJOYSY-ACZVRVHKSA-NSynonyms
1((2S4aR6aS6bS7aR)2hydroxy4a6adimethyl2344a4b566a77a88a8b9tetradecahydronaphtho(2145)indeno(12b)aziren6b(1H)yl)ethanone
CC(=O)C12C(N1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
InChI=1SC21H31NO2c112(23)2118(2221)11171554131014(24)6819(132)16(15)7920(1721)3h414182224H511H213H3t1415?16?17?18+192021+m0s1
MFCD01415017
O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3C(C@@H)3(C@)2(N3)C(=O)C)C)C1)C
ZINC000004380950
ZINC000253505615
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