Vitas-M small molecule compound

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

Catalog ID
STK436149
SMILES COC(=O)c1cc(sc1NC(=S)NCc1ccc(c(c1)Cl)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 C16H16Cl2N2O2S2 MW 403.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16Cl2N2O2S2/c1-3-10-7-11(15(21)22-2)14(24-10)20-16(23)19-8-9-4-5-12(17)13(18)6-9/h4-7H,3,8H2,1-2H3,(H2,19,20,23)
InChIKey
QHDWVPCYRGSVHP-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC
InChI=1SC16H16Cl2N2O2S2c1310711(15(21)222)14(2410)2016(23)19894512(17)13(18)69h47H38H212H3(H2192023)
METHYL2(((((34DICHLOROPHENYL)METHYL)AMINO)THIOXOMETHYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
methyl2(((34dichlorobenzyl)carbamothioyl)amino)5ethylthiophene3carboxylate
METHYL2((34DICHLOROPHENYL)METHYLCARBAMOTHIOYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD03944288
ZINC000001117411
ZINC01117411
ZINC1117411

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Available files

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