Vitas-M small molecule compound
2-{[5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK197792
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1CC(=O)Nc1ccc(cc1)F
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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 C21H19FN6O4S MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN6O4S/c1-2-11-27-18(12-19(29)23-15-5-3-14(22)4-6-15)25-26-21(27)33-13-20(30)24-16-7-9-17(10-8-16)28(31)32/h2-10H,1,11-13H2,(H,23,29)(H,24,30)InChIKey
KXTQCNDRMOZNIH-UHFFFAOYSA-NSynonyms
2((5(2((4FLUOROPHENYL)AMINO)2OXOETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CC(=O)NC3=CC=C(C=C3)F
C=CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1CC(=O)Nc1ccc(cc1)F
InChI=1SC21H19FN6O4Sc12112718(1219(29)23155314(22)4615)252621(27)331320(30)24167917(10816)28(31)32h210H11113H2(H2329)(H2430)
MFCD06625505
N(4FLUOROPHENYL)2(5(2(4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ACETAMIDE
ZINC000009262312
ZINC09262312
ZINC9262312
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