Vitas-M small molecule compound
11-[4-(methylsulfanyl)phenyl]-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK000981
SMILES CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)c1ccccc1)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 C27H24N2O2S MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O2S/c1-32-20-16-14-18(15-17-20)26-25-22(11-7-13-24(25)30)28-21-10-5-6-12-23(21)29(26)27(31)19-8-3-2-4-9-19/h2-6,8-10,12,14-17,26,28H,7,11,13H2,1H3InChIKey
CNXAMYHANVQIQJ-UHFFFAOYSA-NSynonyms
11(4(methylsulfanyl)phenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5benzoyl6(4methylsulfanylphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CSC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5
CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)c1ccccc1)cccc2
InChI=1SC27H24N2O2Sc13220161418(151720)262522(1171324(25)30)282110561223(21)29(26)27(31)198324919h268101214172628H71113H21H3
MFCD02917722
STK000981
ZINC000009861353
ZINC000009861354
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