Vitas-M small molecule compound
1,1'-[(2S,4aR,6aS,6bS,7aR)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirene-6b,7-diyl]diethanone
Catalog ID
STK674595
SMILES O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@H]3[C@@]2(C(=O)C)N3C(=O)C)C)C1)C
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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 C23H33NO3 MW 371.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO3/c1-13(25)23-20(24(23)14(2)26)12-19-17-6-5-15-11-16(27)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,27H,6-12H2,1-4H3/t16-,17?,18?,19?,20+,21-,22-,23+,24?/m0/s1InChIKey
ZEXKBKAYWZMNJG-SUZOORIFSA-NSynonyms
11((2S4aR6aS6bS7aR)2hydroxy4a6adimethyl12344a4b566a7a88a8b9tetradecahydronaphtho(2145)indeno(12b)azirene6b7diyl)diethanone
CC(=O)C12C(N1C(=O)C)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
InChI=1SC23H33NO3c113(25)2320(24(23)14(2)26)12191765151116(27)7921(153)18(17)81022(1923)4h5162027H612H214H3t1617?18?19?20+212223+24?m0s1
MFCD01465222
O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3C(C@@H)3(C@@)2(C(=O)C)N3C(=O)C)C)C1)C
ZINC000004491886
ZINC000253505671
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