Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK147463
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1c1ccc(cc1)[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 C19H15ClFN5O3S MW 447.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5O3S/c1-2-9-25-18(12-3-6-14(7-4-12)26(28)29)23-24-19(25)30-11-17(27)22-13-5-8-16(21)15(20)10-13/h2-8,10H,1,9,11H2,(H,22,27)InChIKey
UURWCTVNMTVTDF-UHFFFAOYSA-NSynonyms
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H15ClFN5O3Sc1292518(123614(7412)26(28)29)232419(25)301117(27)22135816(21)15(20)1013h2810H1911H2(H2227)
MFCD03905610
N(3CHLORO4FLUOROPHENYL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO4FLUOROPHENYL)2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009601538
ZINC09601538
ZINC9601538
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