Vitas-M small molecule compound
10-acetyl-11-(4-tert-butylphenyl)-7-chloro-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK022355
SMILES Clc1ccc2c(c1)NC1=C(C(N2C(=O)C)c2ccc(cc2)C(C)(C)C)C(=O)CC(C1)c1ccc(cc1)Cl
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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 C31H30Cl2N2O2 MW 533.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30Cl2N2O2/c1-18(36)35-27-14-13-24(33)17-25(27)34-26-15-21(19-7-11-23(32)12-8-19)16-28(37)29(26)30(35)20-5-9-22(10-6-20)31(2,3)4/h5-14,17,21,30,34H,15-16H2,1-4H3InChIKey
JIRCDYQYBAAUKL-UHFFFAOYSA-NSynonyms
10acetyl11(4tertbutylphenyl)7chloro3(4chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl6(4tertbutylphenyl)2chloro9(4chlorophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=C1C=CC(=C4)Cl)C5=CC=C(C=C5)C(C)(C)C
Clc1ccc2c(c1)NC1=C(C(N2C(=O)C)c2ccc(cc2)C(C)(C)C)C(=O)CC(C1)c1ccc(cc1)Cl
InChI=1SC31H30Cl2N2O2c118(36)3527141324(33)1725(27)34261521(1971123(32)12819)1628(37)29(26)30(35)205922(10620)31(23)4h51417213034H1516H214H3
MFCD03161559
STK022355
ZINC000098044775
ZINC000098044778
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