Vitas-M small molecule compound

dimethyl 2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STL145372
SMILES CN(C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC)CCC#N

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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 C15H17N3O4S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O4S/c1-18(8-4-7-16)15(23)17-12-9-10(13(19)21-2)5-6-11(12)14(20)22-3/h5-6,9H,4,8H2,1-3H3,(H,17,23)
InChIKey
PGELQBVAUJFXRZ-UHFFFAOYSA-N
Synonyms
892271-40-8
892271408
CN(CCC#N)C(=S)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC
dimethyl2(((2cyanoethyl)(methyl)carbamothioyl)amino)benzene14dicarboxylate
dimethyl2((2cyanoethyl(methyl)carbamothioyl)amino)benzene14dicarboxylate
InChI=1SC15H17N3O4Sc118(84716)15(23)1712910(13(19)212)5611(12)14(20)223h569H48H213H3(H1723)
MFCD14726225
ZINC000003906959
ZINC3906959

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Available files

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