Vitas-M small molecule compound
3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STL444561
SMILES O=C1CC(C)(C)CC2=C1C(N(C(=S)Nc1ccccc1)c1c(N2)cccc1)c1cccn1C
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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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c1-27(2)16-20-24(23(32)17-27)25(22-14-9-15-30(22)3)31(21-13-8-7-12-19(21)29-20)26(33)28-18-10-5-4-6-11-18/h4-15,25,29H,16-17H2,1-3H3,(H,28,33)InChIKey
CNNZJWFPVXIJMI-UHFFFAOYSA-NSynonyms
33dimethyl11(1methyl1Hpyrrol2yl)1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
99dimethyl6(1methylpyrrol2yl)7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=CN5C)C(=O)C1)C
InChI=1SC27H28N4OSc127(2)162024(23(32)1727)25(221491530(22)3)31(2113871219(21)2920)26(33)2818105461118h4152529H1617H213H3(H2833)
MFCD03756686
ZINC000001093357
ZINC000001093358
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