Vitas-M small molecule compound
10-[(3-chlorophenyl)carbonyl]-3-(4-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677474
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)c1cccc(c1)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 C31H25ClN2O3S MW 541.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN2O3S/c1-37-23-13-11-19(12-14-23)21-17-25-29(27(35)18-21)30(28-10-5-15-38-28)34(26-9-3-2-8-24(26)33-25)31(36)20-6-4-7-22(32)16-20/h2-16,21,30,33H,17-18H2,1H3InChIKey
HVCDQPKINWRIRW-UHFFFAOYSA-NSynonyms
10((3chlorophenyl)carbonyl)3(4methoxyphenyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(3chlorobenzoyl)9(4methoxyphenyl)6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC(=CC=C5)Cl)C6=CC=CS6)C(=O)C2
InChI=1SC31H25ClN2O3Sc13723131119(121423)21172529(27(35)1821)30(28105153828)34(26932824(26)3325)31(36)2064722(32)1620h216213033H1718H21H3
MFCD02933521
ZINC000001067987
ZINC000001068014
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