Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(thiophen-2-ylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK073102
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)c1cccs1

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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 C32H27FN2O4S MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27FN2O4S/c1-38-27-14-11-20(18-28(27)39-2)21-16-24-30(26(36)17-21)31(19-9-12-22(33)13-10-19)35(32(37)29-8-5-15-40-29)25-7-4-3-6-23(25)34-24/h3-15,18,21,31,34H,16-17H2,1-2H3
InChIKey
KJIIWXCQRNKDGE-UHFFFAOYSA-N
Synonyms

3(34dimethoxyphenyl)11(4fluorophenyl)10(thiophen2ylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(4fluorophenyl)5(thiophene2carbonyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CS5)C6=CC=C(C=C6)F)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)c1cccs1
InChI=1SC32H27FN2O4Sc13827141120(1828(27)392)21162430(26(36)1721)31(1991222(33)131019)35(32(37)2985154029)25743623(25)3424h31518213134H1617H212H3
MFCD03488987
STK073102
ZINC000001440834
ZINC000001440837

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Available files

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