Vitas-M small molecule compound

methyl 2-[({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK863333
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)c1ccccc1Cl

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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 C18H15ClN4O3S MW 402.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O3S/c1-26-17(25)12-7-3-5-9-14(12)20-15(24)10-27-18-21-16(22-23-18)11-6-2-4-8-13(11)19/h2-9H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKey
XDCHNQLTNPMICR-UHFFFAOYSA-N
Synonyms
693804-41-0
2((2((5(2CHLOROPHENYL)1H124TRIAZOL3YL)THIO)1OXOETHYL)AMINO)BENZOICACIDMETHYLESTER
2((2((5(2CHLOROPHENYL)1H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOICACIDMETHYLESTER
693804410
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Cl
COC(=O)c1ccccc1NC(=O)CSc1n(nH)c(n1)c1ccccc1Cl
COC(=O)c1ccccc1NC(=O)CSc1nnc((nH)1)c1ccccc1Cl
InChI=1SC18H15ClN4O3Sc12617(25)12735914(12)2015(24)1027182116(222318)11624813(11)19h29H10H21H3(H2024)(H212223)
METHYL2((((5(2CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((((5(2chlorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(2CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2(2((5(2CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)ETHANOYLAMINO)BENZOATE
methyl2(2((5(2chlorophenyl)1H124triazol3yl)thio)acetamido)benzoate
MFCD03999082
ZINC000017877097
ZINC17877097

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Available files

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