Vitas-M small molecule compound
ethyl 5-(4-nitrophenyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK773675
SMILES CCOC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1n1cccc1
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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 C17H13N7O5 MW 395.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N7O5/c1-2-28-17(25)13-14(11-5-7-12(8-6-11)24(26)27)23(21-18-13)16-15(19-29-20-16)22-9-3-4-10-22/h3-10H,2H2,1H3InChIKey
TZUKWOKCCIDFEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1n1cccc1
ethyl5(4nitrophenyl)1(4(1Hpyrrol1yl)125oxadiazol3yl)1H123triazole4carboxylate
ETHYL5(4NITROPHENYL)1(4PYRROL1YL125OXADIAZOL3YL)TRIAZOLE4CARBOXYLATE
InChI=1SC17H13N7O5c122817(25)1314(115712(8611)24(26)27)23(211813)1615(19292016)229341022h310H2H21H3
MFCD03855277
ZINC000001080638
ZINC01080638
ZINC1080638
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