Vitas-M small molecule compound
4-chloro-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
Catalog ID
STL052691
SMILES Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)NC(=O)c1ccc(c(c1)[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 C18H12Cl2N6O4 MW 447.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2N6O4/c19-11-4-1-9(2-5-11)13-8-15(27)21-18-23-17(24-25(13)18)22-16(28)10-3-6-12(20)14(7-10)26(29)30/h1-7,13H,8H2,(H2,21,22,23,24,27,28)InChIKey
XFPPICNEKMEORL-UHFFFAOYSA-NSynonyms
714236-35-84chloroN(7(4chlorophenyl)5oxo3567tetrahydro(124)triazolo(15a)pyrimidin2yl)3nitrobenzamide
4CHLORON(7(4CHLOROPHENYL)5OXO67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDIN2YL)3NITROBENZAMIDE
714236358
C1C(N2C(=NC1=O)N=C(N2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C1CC(=O)N=c2n1nc((nH)2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC18H12Cl2N6O4c1911419(2511)13815(27)21182317(2425(13)18)2216(28)103612(20)14(710)26(29)30h1713H8H2(H2212223242728)
MFCD05729100
ZINC000017208830
ZINC000017208833
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