Vitas-M small molecule compound
6-(1,5-dimethyl-1H-pyrazol-4-yl)-5-hexanoyl-9,9-dimethyl-5,6,8,9,10,11-hexahydro-7H-dibenzo[b,e]azepin-7-one
Catalog ID
STK044314
SMILES CCCCCC(=O)N1c2ccccc2CC2=C(C1c1cnn(c1C)C)C(=O)CC(C2)(C)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 C27H35N3O2 MW 433.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O2/c1-6-7-8-13-24(32)30-22-12-10-9-11-19(22)14-20-15-27(3,4)16-23(31)25(20)26(30)21-17-28-29(5)18(21)2/h9-12,17,26H,6-8,13-16H2,1-5H3InChIKey
SVGLNJIGDXUCDK-UHFFFAOYSA-NSynonyms
6(15dimethyl1Hpyrazol4yl)5hexanoyl99dimethyl56891011hexahydro7Hdibenzo(be)azepin7one
6(15dimethylpyrazol4yl)5hexanoyl99dimethyl681011tetrahydrobenzo(c)(1)benzazepin7one
CCCCCC(=O)N1C(C2=C(CC3=CC=CC=C31)CC(CC2=O)(C)C)C4=C(N(N=C4)C)C
CCCCCC(=O)N1c2ccccc2CC2=C(C1c1cnn(c1C)C)C(=O)CC(C2)(C)C
InChI=1SC27H35N3O2c16781324(32)3022121091119(22)14201527(34)1623(31)25(20)26(30)21172829(5)18(21)2h9121726H681316H215H3
MFCD08050810
STK044314
ZINC000006635081
ZINC000006635082
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