Vitas-M small molecule compound
3-[(1Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Catalog ID
STK473134
SMILES COc1ccc(cc1)C(=O)Oc1cccc(c1)/C=C(\C(=O)Nc1ccc2c(c1)OCO2)/C#N
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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 C25H18N2O6 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O6/c1-30-20-8-5-17(6-9-20)25(29)33-21-4-2-3-16(12-21)11-18(14-26)24(28)27-19-7-10-22-23(13-19)32-15-31-22/h2-13H,15H2,1H3,(H,27,28)/b18-11-InChIKey
JJLYFBGMWYJGAX-WQRHYEAKSA-NSynonyms
(3((Z)3(13benzodioxol5ylamino)2cyano3oxoprop1enyl)phenyl)4methoxybenzoate
3((1Z)2(N(2HBENZO(34D)13DIOXOLAN5YL)CARBAMOYL)2CYANOVINYL)PHENYL4METHOXYBENZOATE
3((1Z)3(13benzodioxol5ylamino)2cyano3oxoprop1en1yl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCO4
COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C(C(=O)Nc1ccc2c(c1)OCO2)C#N
InChI=1SC25H18N2O6c130208517(6920)25(29)332142316(1221)1118(1426)24(28)27197102223(1319)32153122h213H15H21H3(H2728)b1811
MFCD07092606
ZINC000019635606
ZINC19635606
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