Vitas-M small molecule compound
2-fluoro-N-{2-[5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK235955
SMILES C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C22H20FN5O4S MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN5O4S/c1-2-12-27-20(10-11-24-21(30)17-8-3-4-9-18(17)23)25-26-22(27)33-14-19(29)15-6-5-7-16(13-15)28(31)32/h2-9,13H,1,10-12,14H2,(H,24,30)InChIKey
WEGRTGQVRBZZFO-UHFFFAOYSA-NSynonyms
2FLUORON(2(5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5(2(3NITROPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCNC(=O)C3=CC=CC=C3F
C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20FN5O4Sc12122720(10112421(30)17834918(17)23)252622(27)331419(29)1565716(1315)28(31)32h2913H1101214H2(H2430)
MFCD06627999
N(2(4ALLYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000002880750
ZINC02880750
ZINC2880750
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