Vitas-M small molecule compound
10-(cyclopropylcarbonyl)-3-(3,4-dimethoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK767995
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C1CC1
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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 C29H28N2O4S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4S/c1-34-24-12-11-18(16-25(24)35-2)19-14-21-27(23(32)15-19)28(26-8-5-13-36-26)31(29(33)17-9-10-17)22-7-4-3-6-20(22)30-21/h3-8,11-13,16-17,19,28,30H,9-10,14-15H2,1-2H3InChIKey
PGJNQOIPYBMJNZ-UHFFFAOYSA-NSynonyms
10(cyclopropylcarbonyl)3(34dimethoxyphenyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)10(CYCLOPROPYLCARBONYL)11(2THIENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
5(cyclopropanecarbonyl)9(34dimethoxyphenyl)6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5CC5)C6=CC=CS6)C(=O)C2)OC
InChI=1SC29H28N2O4Sc13424121118(1625(24)352)19142127(23(32)1519)28(2685133626)31(29(33)1791017)22743620(22)3021h3811131617192830H9101415H212H3
MFCD03133700
ZINC000000719045
ZINC000000719048
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