Vitas-M small molecule compound
11-(4-ethoxyphenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK868282
SMILES CCOc1ccc(cc1)C1C2=C(Nc3c(N1C(=S)Nc1ccccc1)cccc3)CC(CC2=O)(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 C30H31N3O2S MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O2S/c1-4-35-22-16-14-20(15-17-22)28-27-24(18-30(2,3)19-26(27)34)32-23-12-8-9-13-25(23)33(28)29(36)31-21-10-6-5-7-11-21/h5-17,28,32H,4,18-19H2,1-3H3,(H,31,36)InChIKey
WVNIZXFKUSIINO-UHFFFAOYSA-NSynonyms
312621-45-711(4ethoxyphenyl)33dimethyl1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
11(4ethoxyphenyl)33dimethyl1oxoNphenyl34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
312621457
6(4ethoxyphenyl)99dimethyl7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=S)NC5=CC=CC=C5
InChI=1SC30H31N3O2Sc143522161420(151722)282724(1830(23)1926(27)34)322312891325(23)33(28)29(36)3121106571121h5172832H41819H213H3(H3136)
MFCD01811012
ZINC000008694716
ZINC000008694717
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