Vitas-M small molecule compound

ethyl 2-[({[2-chloro-5-(methylsulfanyl)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK317785
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(SC)ccc2Cl)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 C20H21ClN2O3S3 MW 469.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O3S3/c1-3-26-19(25)16-12-6-4-5-7-15(12)29-18(16)23-20(27)22-17(24)13-10-11(28-2)8-9-14(13)21/h8-10H,3-7H2,1-2H3,(H2,22,23,24,27)
InChIKey
CHVZFUJPSNCPTJ-UHFFFAOYSA-N
Synonyms
445239-85-0
445239850
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl
ethyl2((((2chloro5(methylsulfanyl)phenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2chloro5methylsulfanylbenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21ClN2O3S3c132619(25)1612645715(12)2918(16)2320(27)2217(24)131011(282)8914(13)21h810H37H212H3(H222232427)
MFCD02609370
ZINC000002109162
ZINC02109162
ZINC2109162

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Available files

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