Vitas-M small molecule compound

10-acetyl-3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK047852
SMILES Clc1ccc(c(c1)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C)cccc2

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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)35-27-8-6-5-7-25(27)34-26-15-20(19-9-11-21(12-10-19)31(2,3)4)16-28(37)29(26)30(35)23-14-13-22(32)17-24(23)33/h5-14,17,20,30,34H,15-16H2,1-4H3
InChIKey
PGQPWJLEXVHILY-UHFFFAOYSA-N
Synonyms
523992-61-2
10ACETYL11(24DICHLOROPHENYL)3(4(TERTBUTYL)PHENYL)1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPINE
10acetyl3(4(tertbutyl)phenyl)11(24dichlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10acetyl3(4tertbutylphenyl)11(24dichlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992612
5acetyl9(4tertbutylphenyl)6(24dichlorophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=C(C=C(C=C5)Cl)Cl
Clc1ccc(c(c1)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C)cccc2
InChI=1SC31H30Cl2N2O2c118(36)3527865725(27)34261520(1991121(121019)31(23)4)1628(37)29(26)30(35)23141322(32)1724(23)33h51417203034H1516H214H3
MFCD03488969
STK047852
ZINC000097945649
ZINC000097945652

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Available files

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