Vitas-M small molecule compound
2-bromo-N-{[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK218424
SMILES O=C(Nc1cccc(c1C)C)CSc1nnc(n1C)CNC(=O)c1ccccc1Br
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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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-13-7-6-10-17(14(13)2)24-19(28)12-30-21-26-25-18(27(21)3)11-23-20(29)15-8-4-5-9-16(15)22/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
PQUMSGACHIFLRH-UHFFFAOYSA-NSynonyms
2BROMON((5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Br)C
InChI=1SC21H22BrN5O2Sc113761017(14(13)2)2419(28)123021262518(27(21)3)112320(29)15845916(15)22h410H1112H213H3(H2329)(H2428)
MFCD07357874
ZINC000009261796
ZINC09261796
ZINC9261796
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