Vitas-M small molecule compound
methyl 2-[({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL061757
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)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 C17H15N5O3S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O3S/c1-25-16(24)12-4-2-3-5-13(12)19-14(23)10-26-17-20-15(21-22-17)11-6-8-18-9-7-11/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)InChIKey
ZAPAJOURJSSJEA-UHFFFAOYSA-NSynonyms
586997-48-0586997480
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3
COC(=O)c1ccccc1NC(=O)CSc1nnc((nH)1)c1ccncc1
InChI=1SC17H15N5O3Sc12516(24)12423513(12)1914(23)1026172015(212217)1168189711h29H10H21H3(H1923)(H202122)
METHYL2((((5(4PYRIDINYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((5(pyridin4yl)4H124triazol3yl)thio)acetamido)benzoate
MFCD04033948
ZINC000018096268
ZINC18096268
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