Vitas-M small molecule compound

methyl 2-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK299430
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccccc2C)sc2c1CCCC2

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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 C19H20N2O3S2 MW 388.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O3S2/c1-11-7-3-4-8-12(11)16(22)20-19(25)21-17-15(18(23)24-2)13-9-5-6-10-14(13)26-17/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,20,21,22,25)
InChIKey
YINVLOBDXRFBGL-UHFFFAOYSA-N
Synonyms
445239-07-6
445239076
CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC19H20N2O3S2c111734812(11)16(22)2019(25)211715(18(23)242)139561014(13)2617h3478H56910H212H3(H220212225)
methyl2((((2methylphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2methylbenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD02373916
ZINC000002774575
ZINC02774575
ZINC2774575

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Available files

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