Vitas-M small molecule compound
N-[1-(2-chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
Catalog ID
STL398982
SMILES O=C(Nc1ncn(n1)Cc1ccc(cc1Cl)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 C15H12Cl2FN7O3 MW 428.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12Cl2FN7O3/c16-11-5-10(18)2-1-9(11)6-24-8-19-15(22-24)20-13(26)3-4-23-7-12(17)14(21-23)25(27)28/h1-2,5,7-8H,3-4,6H2,(H,20,22,26)InChIKey
ATRKRULVOACRFI-UHFFFAOYSA-NSynonyms
1005641-62-21005641622
C1=CC(=C(C=C1F)Cl)CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC15H12Cl2FN7O3c1611510(18)219(11)62481915(2224)2013(26)3423712(17)14(2123)25(27)28h12578H346H2(H202226)
MFCD04140987
N(1((2CHLORO4FLUOROPHENYL)METHYL)(124TRIAZOL3YL))3(4CHLORO3NITROPYRAZOLYL)PROPANAMIDE
N(1((2chloro4fluorophenyl)methyl)124triazol3yl)3(4chloro3nitropyrazol1yl)propanamide
N(1(2CHLORO4FLUOROBENZYL)1H124TRIAZOL3YL)3(4CHLORO3NITRO1HPYRAZOL1YL)PROPANAMIDE
O=C(Nc1ncn(n1)Cc1ccc(cc1Cl)F)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002732365
ZINC02732365
ZINC2732365
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