Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate
Catalog ID
STK924243
SMILES O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2)OC(=O)c1ccc(cc1)C(C)(C)C
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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 C25H21NO4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO4/c1-25(2,3)18-8-6-17(7-9-18)24(28)29-19-10-11-20-21(14-19)30-22(23(20)27)13-16-5-4-12-26-15-16/h4-15H,1-3H3/b22-13-InChIKey
XSYHCFVWHXEHFS-XKZIYDEJSA-NSynonyms
622789-93-9((2Z)3OXO2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN6YL)4TERTBUTYLBENZOATE
(2Z)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6yl4tertbutylbenzoate
(Z)3oxo2(pyridin3ylmethylene)23dihydrobenzofuran6yl4(tertbutyl)benzoate
3OXO2(3PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL4(TERTBUTYL)BENZOATE
622789939
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3
InChI=1SC25H21NO4c125(23)188617(7918)24(28)291910112021(1419)3022(23(20)27)13165412261516h415H13H3b2213
MFCD04170494
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2)OC(=O)c1ccc(cc1)C(C)(C)C
ZINC000005185463
ZINC05185463
ZINC5185463
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