Vitas-M small molecule compound
ethyl 7-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK914909
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(cc1)Cl)ncn2)c1ccc(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 C20H16ClN5O4 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O4/c1-2-30-19(27)16-17(12-5-9-15(10-6-12)26(28)29)24-20-22-11-23-25(20)18(16)13-3-7-14(21)8-4-13/h3-11,18H,2H2,1H3,(H,22,23,24)InChIKey
YLYJSDZTNVCQLZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)C1=C(Nc2n(C1c1ccc(cc1)Cl)ncn2)c1ccc(cc1)(N+)(=O)(O)
ETHYL7(4CHLOROPHENYL)5(4NITROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ethyl7(4chlorophenyl)5(4nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC20H16ClN5O4c123019(27)1617(125915(10612)26(28)29)242022112325(20)18(16)133714(21)8413h31118H2H21H3(H222324)
MFCD15110113
ZINC000002916125
ZINC000002916127
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