Vitas-M small molecule compound
ethyl 5-methyl-7-(3-nitrophenyl)-2-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK405795
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])nc(n2)c1ccncc1
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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 C20H18N6O4 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O4/c1-3-30-19(27)16-12(2)22-20-23-18(13-7-9-21-10-8-13)24-25(20)17(16)14-5-4-6-15(11-14)26(28)29/h4-11,17H,3H2,1-2H3,(H,22,23,24)InChIKey
IHXFSSCETBZFCV-UHFFFAOYSA-NSynonyms
847465-00-3847465003
CCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))nc(n2)c1ccncc1
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=NC=C4)C
ethyl5methyl7(3nitrophenyl)2(pyridin4yl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl5methyl7(3nitrophenyl)2pyridin4yl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC20H18N6O4c133019(27)1612(2)22202318(13792110813)2425(20)17(16)1454615(1114)26(28)29h41117H3H212H3(H222324)
MFCD06754685
ZINC000017087289
ZINC000017087290
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