Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK921653
SMILES O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
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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 C22H13NO6 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13NO6/c24-21-16-3-2-15(11-18(16)29-20(21)9-13-5-7-23-8-6-13)28-22(25)14-1-4-17-19(10-14)27-12-26-17/h1-11H,12H2/b20-9-InChIKey
XSUPNJPATATKPY-UKWGHVSLSA-NSynonyms
622800-98-0((2Z)3OXO2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
622800980
C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=NC=C5)O4
InChI=1SC22H13NO6c2421163215(1118(16)2920(21)91357238613)2822(25)14141719(1014)27122617h111H12H2b209
MFCD04192157
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
ZINC000005249594
ZINC05249594
ZINC5249594
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