Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-[({[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK466875
SMILES C=CCn1c(SCC(=O)Nc2sc(c(c2C(=O)OC)CC)C)nnc1c1ccccn1
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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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-5-11-26-18(15-9-7-8-10-22-15)24-25-21(26)30-12-16(27)23-19-17(20(28)29-4)14(6-2)13(3)31-19/h5,7-10H,1,6,11-12H2,2-4H3,(H,23,27)InChIKey
JYAMWDHWZTYEKF-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3)C
InChI=1SC21H23N5O3S2c15112618(15978102215)242521(26)301216(27)231917(20(28)294)14(62)13(3)3119h5710H161112H224H3(H2327)
methyl4ethyl5methyl2((((4(prop2en1yl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl4ethyl5methyl2((2((4prop2enyl5pyridin2yl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2(2(4PROP2ENYL5(2PYRIDYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06120286
ZINC000020191436
ZINC20191436
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