Vitas-M small molecule compound
2-bromo-N-{1-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK135296
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1C)C(NC(=O)c1ccccc1Br)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 C21H21BrClN5O2S MW 522.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrClN5O2S/c1-12-8-9-14(10-17(12)23)25-18(29)11-31-21-27-26-19(28(21)3)13(2)24-20(30)15-6-4-5-7-16(15)22/h4-10,13H,11H2,1-3H3,(H,24,30)(H,25,29)InChIKey
HYZDCLJKWBHDNA-UHFFFAOYSA-NSynonyms
2BROMON(1(5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3Br)Cl
InChI=1SC21H21BrClN5O2Sc1128914(1017(12)23)2518(29)113121272619(28(21)3)13(2)2420(30)15645716(15)22h41013H11H213H3(H2430)(H2529)
MFCD05986406
ZINC000001127417
ZINC000001127419
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