Vitas-M small molecule compound
4-bromo-N-{[5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STL122261
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1CNC(=O)c1ccc(cc1)Br
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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)15-4-6-16(23)7-5-15)26-27-22(28)34-13-20(30)25-18-9-8-17(29(32)33)11-14(18)2/h3-9,11H,1,10,12-13H2,2H3,(H,24,31)(H,25,30)InChIKey
UBZFPIDSJXLJSH-UHFFFAOYSA-NSynonyms
4bromoN((5((2((2methyl4nitrophenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)benzamide
4BROMON((5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))nnc1CNC(=O)c1ccc(cc1)Br
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)Br
InChI=1SC22H21BrN6O4Sc13102819(122421(31)154616(23)7515)262722(28)341320(30)25189817(29(32)33)1114(18)2h3911H1101213H22H3(H2431)(H2530)
MFCD06001349
ZINC000059612525
ZINC59612525
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