Vitas-M small molecule compound
methyl 2-[({[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK439901
SMILES C=CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1Cc1ccc(cc1)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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c1-4-10-25-17(12-14-5-7-15(28-2)8-6-14)23-24-21(25)31-13-18(26)22-19-16(9-11-30-19)20(27)29-3/h4-9,11H,1,10,12-13H2,2-3H3,(H,22,26)InChIKey
HVCITZYLPJDSFG-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CS3)C(=O)OC
InChI=1SC21H22N4O4S2c14102517(12145715(282)8614)232421(25)311318(26)221916(9113019)20(27)293h4911H1101213H223H3(H2226)
methyl2((((5(4methoxybenzyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2((2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL2(2(5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946081
ZINC000020248834
ZINC20248834
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