Vitas-M small molecule compound

methyl 2-{[(4-chlorobenzyl)carbamothioyl]amino}-5-ethylthiophene-3-carboxylate

Catalog ID
STK436144
SMILES COC(=O)c1cc(sc1NC(=S)NCc1ccc(cc1)Cl)CC

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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 C16H17ClN2O2S2 MW 368.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN2O2S2/c1-3-12-8-13(15(20)21-2)14(23-12)19-16(22)18-9-10-4-6-11(17)7-5-10/h4-8H,3,9H2,1-2H3,(H2,18,19,22)
InChIKey
VXYTYKPWDUVNOS-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)Cl)C(=O)OC
InChI=1SC16H17ClN2O2S2c1312813(15(20)212)14(2312)1916(22)189104611(17)7510h48H39H212H3(H2181922)
METHYL2(((((4CHLOROPHENYL)METHYL)AMINO)THIOXOMETHYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
methyl2(((4chlorobenzyl)carbamothioyl)amino)5ethylthiophene3carboxylate
METHYL2((4CHLOROPHENYL)METHYLCARBAMOTHIOYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD03944284
ZINC000006708510
ZINC06708510
ZINC6708510

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Available files

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