Vitas-M small molecule compound
2-bromo-N-{[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186777
SMILES O=C(Nc1ccc(cc1C)[N+](=O)[O-])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 C20H19BrN6O4S MW 519.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN6O4S/c1-12-9-13(27(30)31)7-8-16(12)23-18(28)11-32-20-25-24-17(26(20)2)10-22-19(29)14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,22,29)(H,23,28)InChIKey
OXJNYXCLRWCYSJ-UHFFFAOYSA-NSynonyms
2BROMON((4METHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((4METHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Br
InChI=1SC20H19BrN6O4Sc112913(27(30)31)7816(12)2318(28)113220252417(26(20)2)102219(29)14534615(14)21h39H1011H212H3(H2229)(H2328)
MFCD05998959
O=C(Nc1ccc(cc1C)(N+)(=O)(O))CSc1nnc(n1C)CNC(=O)c1ccccc1Br
ZINC000059612033
ZINC59612033
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