Vitas-M small molecule compound
ethyl 4-[({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK131901
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccncc1
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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 C19H19N5O3S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O3S/c1-3-27-18(26)14-4-6-15(7-5-14)21-16(25)12-28-19-23-22-17(24(19)2)13-8-10-20-11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25)InChIKey
XXGVEGOHLBTMHG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3
ETHYL4((((4METHYL5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
ETHYL4((((4METHYL5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4METHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(4METHYL5(4PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC19H19N5O3Sc132718(26)144615(7514)2116(25)122819232217(24(19)2)138102011913h411H312H212H3(H2125)
MFCD02739832
ZINC000000897200
ZINC00897200
ZINC897200
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