Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate
Catalog ID
STK847856
SMILES O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[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 C21H12N2O6 MW 388.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O6/c24-20-17-5-4-16(28-21(25)14-2-1-3-15(11-14)23(26)27)12-18(17)29-19(20)10-13-6-8-22-9-7-13/h1-12H/b19-10-InChIKey
XVIIABZAXQJHHA-GRSHGNNSSA-NSynonyms
622366-36-3((2Z)3OXO2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN6YL)3NITROBENZOATE
(2Z)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl3nitrobenzoate
(Z)3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6yl3nitrobenzoate
3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL3NITROBENZOATE
622366363
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3
InChI=1SC21H12N2O6c2420175416(2821(25)1421315(1114)23(26)27)1218(17)2919(20)101368229713h112Hb1910
MFCD04189859
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000005219097
ZINC05219097
ZINC5219097
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