Vitas-M small molecule compound

dimethyl 2-[({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK401191
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1CC)c1cccs1)C(=O)OC

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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 C20H20N4O5S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S2/c1-4-24-17(15-6-5-9-30-15)22-23-20(24)31-11-16(25)21-14-10-12(18(26)28-2)7-8-13(14)19(27)29-3/h5-10H,4,11H2,1-3H3,(H,21,25)
InChIKey
DVSIDBUWVIFPFV-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CS3
dimethyl2((((4ethyl5(thiophen2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
DIMETHYL2((2((4ETHYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC20H20N4O5S2c142417(156593015)222320(24)311116(25)21141012(18(26)282)7813(14)19(27)293h510H411H213H3(H2125)
METHYL3(2(4ETHYL5(2THIENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD04608733
ZINC000003331671
ZINC03331671
ZINC3331671

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Available files

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