Vitas-M small molecule compound

(2E)-N-(3-methylphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide

Catalog ID
STK075579
SMILES S=C(Nc1cccc(c1)C)N/N=C\1/C(=O)Nc2c1cccc2

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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 C16H14N4OS MW 310.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
InChIKey
GRUNYWKNRJZXDZ-UHFFFAOYSA-N
Synonyms

(2E)N(3METHYLPHENYL)2(2OXO12DIHYDRO3HINDOL3YLIDENE)HYDRAZINECARBOTHIOAMIDE
1((2KETOINDOL3YL)AMINO)3(MTOLYL)THIOUREA
1(3METHYLPHENYL)3((2OXIDANYLIDENEINDOL3YL)AMINO)THIOUREA
1(3METHYLPHENYL)3((2OXO3INDOLYL)AMINO)THIOUREA
1(3METHYLPHENYL)3((2OXOINDOL3YL)AMINO)THIOUREA
1(MTOLYL)3((Z)(2OXOINDOLIN3YLIDENE)AMINO)THIOUREA
1HINDOLE23DIONE3(N(3METHYLPHENYL)THIOSEMICARBAZONE)
CC1=CC(=CC=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O
InChI=1SC16H14N4OSc11054611(910)1716(22)20191412723813(12)1815(14)21h29H1H3(H2172022)(H181921)
MFCD01035449
S=C(Nc1cccc(c1)C)NN=C1C(=O)Nc2c1cccc2
STK075579
ZINC000100004416
ZINC03891903
ZINC03891904
ZINC100004416

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.