Vitas-M small molecule compound
methyl 2-({[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK115306
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-8-14-13(17-16-8)21-7-11(18)15-10-6-4-3-5-9(10)12(19)20-2/h3-6H,7H2,1-2H3,(H,15,18)(H,14,16,17)InChIKey
WBOSKLYAPWRNEL-UHFFFAOYSA-NSynonyms
586985-17-32(2(5METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYL
2(2(5METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
586985173
CC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC
COC(=O)c1ccccc1NC(=O)CSc1nnc((nH)1)C
InChI=1SC13H14N4O3Sc181413(17168)21711(18)151064359(10)12(19)202h36H7H212H3(H1518)(H141617)
METHYL2((((5METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5METHYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((5methyl4H124triazol3yl)thio)acetamido)benzoate
MFCD02243728
ZINC000018093663
ZINC18093663
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