Vitas-M small molecule compound
2-bromo-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186802
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1CNC(=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 C22H21BrN6O4S MW 545.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN6O4S/c1-3-10-28-19(12-24-21(31)16-6-4-5-7-17(16)23)26-27-22(28)34-13-20(30)25-18-11-15(29(32)33)9-8-14(18)2/h3-9,11H,1,10,12-13H2,2H3,(H,24,31)(H,25,30)InChIKey
MBJQDECWEVHIST-UHFFFAOYSA-NSynonyms
2BROMON((5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))nnc1CNC(=O)c1ccccc1Br
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br
InChI=1SC22H21BrN6O4Sc13102819(122421(31)16645717(16)23)262722(28)341320(30)25181115(29(32)33)9814(18)2h3911H1101213H22H3(H2431)(H2530)
MFCD05998978
ZINC000002867118
ZINC2867118
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