Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-[({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK467244
SMILES C=CCn1c(SCC(=O)Nc2sc(c(c2C(=O)OCC)C)C(=O)N)nnc1c1cccnc1
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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 C21H22N6O4S2 MW 486.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S2/c1-4-9-27-18(13-7-6-8-23-10-13)25-26-21(27)32-11-14(28)24-19-15(20(30)31-5-2)12(3)16(33-19)17(22)29/h4,6-8,10H,1,5,9,11H2,2-3H3,(H2,22,29)(H,24,28)InChIKey
HQUZZVNMQMPUQC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3
ethyl5carbamoyl4methyl2((((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl5carbamoyl4methyl2((2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2(2(4PROP2ENYL5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H22N6O4S2c1492718(13768231013)252621(27)321114(28)241915(20(30)3152)12(3)16(3319)17(22)29h46810H15911H223H3(H22229)(H2428)
MFCD06074606
ZINC000020168080
ZINC20168080
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