Vitas-M small molecule compound
methyl 2-amino-4-{5-bromo-2-[(2-cyanobenzyl)oxy]phenyl}-7-hydroxy-4H-chromene-3-carboxylate
Catalog ID
STL415979
SMILES COC(=O)C1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1ccccc1C#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 C25H19BrN2O5 MW 507.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN2O5/c1-31-25(30)23-22(18-8-7-17(29)11-21(18)33-24(23)28)19-10-16(26)6-9-20(19)32-13-15-5-3-2-4-14(15)12-27/h2-11,22,29H,13,28H2,1H3InChIKey
ZSGYQLUWOAUZDW-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N
InChI=1SC25H19BrN2O5c13125(30)2322(188717(29)1121(18)3324(23)28)191016(26)6920(19)321315532414(15)1227h2112229H1328H21H3
methyl2amino4(5bromo2((2cyanobenzyl)oxy)phenyl)7hydroxy4Hchromene3carboxylate
METHYL2AMINO4(5BROMO2((2CYANOPHENYL)METHOXY)PHENYL)7HYDROXY4HCHROMENE3CARBOXYLATE
MFCD04151862
ZINC000000639318
ZINC000000639321
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