Vitas-M small molecule compound

11-[4-(dimethylamino)phenyl]-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
STK138629
SMILES CN(c1ccc(cc1)C1C2=C(Nc3c(N1C(=S)Nc1ccccc1)cccc3)CC(CC2=O)(C)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 C30H32N4OS MW 496.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4OS/c1-30(2)18-24-27(26(35)19-30)28(20-14-16-22(17-15-20)33(3)4)34(25-13-9-8-12-23(25)32-24)29(36)31-21-10-6-5-7-11-21/h5-17,28,32H,18-19H2,1-4H3,(H,31,36)
InChIKey
KUHSPVRPGCHGBP-UHFFFAOYSA-N
Synonyms

11(4(dimethylamino)phenyl)33dimethyl1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
11(4(dimethylamino)phenyl)33dimethyl1oxoNphenyl34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
6(4(dimethylamino)phenyl)99dimethyl7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)N(C)C)C(=O)C1)C
InChI=1SC30H32N4OSc130(2)182427(26(35)1930)28(20141622(171520)33(3)4)34(2513981223(25)3224)29(36)3121106571121h5172832H1819H214H3(H3136)
MFCD02234556
ZINC000009310859
ZINC000009310861

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Available files

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