Vitas-M small molecule compound

methyl 2-({[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STL069079
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)c1sc2c(c1Cl)cccc2

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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 C18H13ClN2O3S2 MW 404.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O3S2/c1-24-17(23)10-6-2-4-8-12(10)20-18(25)21-16(22)15-14(19)11-7-3-5-9-13(11)26-15/h2-9H,1H3,(H2,20,21,22,25)
InChIKey
QFSVFAGKWPHVMW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC18H13ClN2O3S2c12417(23)10624812(10)2018(25)2116(22)1514(19)11735913(11)2615h29H1H3(H220212225)
METHYL2(((((3CHLORO1BENZOTHIEN2YL)CARBONYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
methyl2((((3chloro1benzothiophen2yl)carbonyl)carbamothioyl)amino)benzoate
METHYL2((3CHLORO1BENZOTHIOPHENE2CARBONYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD01830517
ZINC000000976714
ZINC00976714
ZINC976714

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Available files

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