Vitas-M small molecule compound
3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677947
SMILES COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)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 C35H30ClFN2O5 MW 613.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30ClFN2O5/c1-42-30-18-23(19-31(43-2)34(30)44-3)35(41)39-28-7-5-4-6-26(28)38-27-16-22(20-8-12-24(36)13-9-20)17-29(40)32(27)33(39)21-10-14-25(37)15-11-21/h4-15,18-19,22,33,38H,16-17H2,1-3H3InChIKey
JHUWBRMIAWMIAU-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)11(4fluorophenyl)10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4chlorophenyl)6(4fluorophenyl)5(345trimethoxybenzoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C(=O)N2C(C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C52)C6=CC=C(C=C6)F
InChI=1SC35H30ClFN2O5c142301823(1931(432)34(30)443)35(41)3928754626(28)38271622(2081224(36)13920)1729(40)32(27)33(39)21101425(37)151121h4151819223338H1617H213H3
MFCD03036124
ZINC000098003646
ZINC000098003649
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