Vitas-M small molecule compound
2-amino-3-cyano-4-[4-(pentyloxy)phenyl]-4H-chromen-7-yl benzoate
Catalog ID
STK912569
SMILES CCCCCOc1ccc(cc1)C1C(=C(N)Oc2c1ccc(c2)OC(=O)c1ccccc1)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 C28H26N2O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O4/c1-2-3-7-16-32-21-12-10-19(11-13-21)26-23-15-14-22(17-25(23)34-27(30)24(26)18-29)33-28(31)20-8-5-4-6-9-20/h4-6,8-15,17,26H,2-3,7,16,30H2,1H3InChIKey
KDSZZUILACQLFN-UHFFFAOYSA-NSynonyms
(2amino3cyano4(4pentoxyphenyl)4Hchromen7yl)benzoate
2amino3cyano4(4(pentyloxy)phenyl)4Hchromen7ylbenzoate
CCCCCOC1=CC=C(C=C1)C2C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=C2C#N)N
InChI=1SC28H26N2O4c1237163221121019(111321)2623151422(1725(23)3427(30)24(26)1829)3328(31)208546920h468151726H2371630H21H3
MFCD07427519
ZINC000008917142
ZINC000008917143
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