Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-[1-(4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]propanamide
Catalog ID
STK311966
SMILES O=C(Nc1ncn(n1)Cc1ccc(cc1)F)CCn1cc(c(n1)[N+](=O)[O-])Cl
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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 C15H13ClFN7O3 MW 393.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClFN7O3/c16-12-8-22(20-14(12)24(26)27)6-5-13(25)19-15-18-9-23(21-15)7-10-1-3-11(17)4-2-10/h1-4,8-9H,5-7H2,(H,19,21,25)InChIKey
XCNQTQCJJPPYJY-UHFFFAOYSA-NSynonyms
1005610-95-61005610956
3(4chloro3nitro1Hpyrazol1yl)N(1(4fluorobenzyl)1H124triazol3yl)propanamide
3(4chloro3nitropyrazol1yl)N(1((4fluorophenyl)methyl)124triazol3yl)propanamide
C1=CC(=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl)F
InChI=1SC15H13ClFN7O3c1612822(2014(12)24(26)27)6513(25)191518923(2115)7101311(17)4210h1489H57H2(H192125)
MFCD04140498
O=C(Nc1ncn(n1)Cc1ccc(cc1)F)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002731315
ZINC02731315
ZINC2731315
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