Vitas-M small molecule compound
methyl 3-[({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK138261
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc([nH]1)c1ccc(cc1)Cl
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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)12-3-2-4-14(9-12)20-15(24)10-27-18-21-16(22-23-18)11-5-7-13(19)8-6-11/h2-9H,10H2,1H3,(H,20,24)(H,21,22,23)InChIKey
IFOXDRSMAQVWRT-UHFFFAOYSA-NSynonyms
3(2(5(4CHLOROPHENYL)4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl
COC(=O)c1cccc(c1)NC(=O)CSc1nnc((nH)1)c1ccc(cc1)Cl
InChI=1SC18H15ClN4O3Sc12617(25)1232414(912)2015(24)1027182116(222318)115713(19)8611h29H10H21H3(H2024)(H212223)
METHYL3((((5(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((2((5(4CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04375339
ZINC000018249798
ZINC18249798
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