Vitas-M small molecule compound
ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL079675
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC=C)Cc2csc(n2)N)sc(c1C)C
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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 C20H24N6O3S3 MW 492.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O3S3/c1-5-7-26-14(8-13-9-30-19(21)22-13)24-25-20(26)31-10-15(27)23-17-16(18(28)29-6-2)11(3)12(4)32-17/h5,9H,1,6-8,10H2,2-4H3,(H2,21,22)(H,23,27)InChIKey
JBECWJGOTRVKGJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC=C)CC3=CSC(=N3)N
ethyl2((((5((2amino13thiazol4yl)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5((2AMINO13THIAZOL4YL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(2(5((2AMINO(13THIAZOL4YL))METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H24N6O3S3c1572614(81393019(21)2213)242520(26)311015(27)231716(18(28)2962)11(3)12(4)3217h59H16810H224H3(H22122)(H2327)
MFCD05841201
ZINC000006147786
ZINC06147786
ZINC6147786
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