Vitas-M small molecule compound
4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
Catalog ID
STK763414
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OC(=O)N1CCOCC1)C(=O)CC(C2)c1ccccc1
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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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-34-23-14-18(7-8-22(23)37-28(33)31-9-11-35-12-10-31)25-20(16-29)27(30)36-24-15-19(13-21(32)26(24)25)17-5-3-2-4-6-17/h2-8,14,19,25H,9-13,15,30H2,1H3InChIKey
KKXRPSITVDSBCR-UHFFFAOYSA-NSynonyms
(4(2amino3cyano5oxo7phenyl4678tetrahydrochromen4yl)2methoxyphenyl)morpholine4carboxylate
4(2amino3cyano5oxo7phenyl5678tetrahydro4Hchromen4yl)2methoxyphenylmorpholine4carboxylate
COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C#N)OC(=O)N5CCOCC5
InChI=1SC28H27N3O6c134231418(7822(23)3728(33)3191135121031)2520(1629)27(30)36241519(1321(32)26(24)25)175324617h28141925H9131530H21H3
MFCD02647249
ZINC000001072670
ZINC000001072678
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