Vitas-M small molecule compound
methyl 2-amino-4-{4-[(2-cyanobenzyl)oxy]phenyl}-7-hydroxy-4H-chromene-3-carboxylate
Catalog ID
STL415983
SMILES COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)OCc1ccccc1C#N)ccc(c2)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 C25H20N2O5 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5/c1-30-25(29)23-22(20-11-8-18(28)12-21(20)32-24(23)27)15-6-9-19(10-7-15)31-14-17-5-3-2-4-16(17)13-26/h2-12,22,28H,14,27H2,1H3InChIKey
JVYOUQDORSRZEQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N
InChI=1SC25H20N2O5c13025(29)2322(2011818(28)1221(20)3224(23)27)156919(10715)311417532416(17)1326h2122228H1427H21H3
methyl2amino4(4((2cyanobenzyl)oxy)phenyl)7hydroxy4Hchromene3carboxylate
METHYL2AMINO4(4((2CYANOPHENYL)METHOXY)PHENYL)7HYDROXY4HCHROMENE3CARBOXYLATE
MFCD04091421
ZINC000000639276
ZINC000000639279
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