Vitas-M small molecule compound
11-(4-tert-butylphenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK083171
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(cc1)C(C)(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 C32H34N2O2 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O2/c1-31(2,3)23-14-11-20(12-15-23)29-28-26(18-32(4,5)19-27(28)35)33-25-17-22(13-16-24(25)34-29)30(36)21-9-7-6-8-10-21/h6-17,29,33-34H,18-19H2,1-5H3InChIKey
MXBRGKPBUBLUPY-UHFFFAOYSA-NSynonyms
11(4tertbutylphenyl)33dimethyl7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(4tertbutylphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C1)C
InChI=1SC32H34N2O2c131(23)23141120(121523)292826(1832(45)1927(28)35)33251722(131624(25)3429)30(36)2197681021h617293334H1819H215H3
MFCD08673494
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
STK083171
ZINC000009678910
ZINC000009680340
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