Vitas-M small molecule compound
4-chloro-N-{[4-methyl-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK221821
SMILES O=C(Nc1nnc(s1)C)CSc1nnc(n1C)CNC(=O)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 C16H16ClN7O2S2 MW 437.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN7O2S2/c1-9-20-22-15(28-9)19-13(25)8-27-16-23-21-12(24(16)2)7-18-14(26)10-3-5-11(17)6-4-10/h3-6H,7-8H2,1-2H3,(H,18,26)(H,19,22,25)InChIKey
PTGVGUXBGBTZJL-UHFFFAOYSA-NSynonyms
4CHLORON((4METHYL5((2((5METHYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4METHYL5(2((5METHYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON(4METHYL5((5METHYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC16H16ClN7O2S2c19202215(289)1913(25)82716232112(24(16)2)71814(26)103511(17)6410h36H78H212H3(H1826)(H192225)
MFCD07399053
ZINC000009263955
ZINC09263955
ZINC9263955
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