Vitas-M small molecule compound
2-chloro-N-{[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STL124038
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1CNC(=O)c1ccccc1Cl
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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 C21H19ClN6O4S MW 486.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O4S/c1-2-11-27-18(12-23-20(30)16-5-3-4-6-17(16)22)25-26-21(27)33-13-19(29)24-14-7-9-15(10-8-14)28(31)32/h2-10H,1,11-13H2,(H,23,30)(H,24,29)InChIKey
KKQHCTPTENGFMY-UHFFFAOYSA-NSynonyms
2chloroN((5((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)benzamide
2CHLORON((5(2(4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC=CC=C3Cl
C=CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1CNC(=O)c1ccccc1Cl
InChI=1SC21H19ClN6O4Sc12112718(122320(30)16534617(16)22)252621(27)331319(29)24147915(10814)28(31)32h210H11113H2(H2330)(H2429)
MFCD05989074
ZINC000012379127
ZINC12379127
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