Vitas-M small molecule compound
11-(4-chlorophenyl)-3,3-dimethyl-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK050284
SMILES COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)Cl)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 C31H31ClN2O5 MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN2O5/c1-31(2)16-22-27(24(35)17-31)28(18-10-12-20(32)13-11-18)34(23-9-7-6-8-21(23)33-22)30(36)19-14-25(37-3)29(39-5)26(15-19)38-4/h6-15,28,33H,16-17H2,1-5H3InChIKey
UYTRWBDFPMHRKY-UHFFFAOYSA-NSynonyms
11(4chlorophenyl)33dimethyl10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4chlorophenyl)99dimethyl5(345trimethoxybenzoyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)Cl)C(=O)C1)C
COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
InChI=1SC31H31ClN2O5c131(2)162227(24(35)1731)28(18101220(32)131118)34(23976821(23)3322)30(36)191425(373)29(395)26(1519)384h6152833H1617H215H3
MFCD02236093
STK050284
ZINC000001218581
ZINC000001218582
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