Vitas-M small molecule compound
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Catalog ID
STK763897
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OC(=O)c1cccs1)C(=O)CCC2
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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 C22H18N2O5S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3InChIKey
XNWDEGIRZKNSCU-UHFFFAOYSA-NSynonyms
(4(2amino3cyano5oxo4678tetrahydrochromen4yl)2methoxyphenyl)thiophene2carboxylate
4(2AMINO3CYANO5OXO(4H678TRIHYDROCHROMEN4YL))2METHOXYPHENYLTHIOPHENE2CARBOXYLATE
4(2amino3cyano5oxo5678tetrahydro4Hchromen4yl)2methoxyphenylthiophene2carboxylate
COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC(=O)C4=CC=CS4
InChI=1SC22H18N2O5Sc127171012(7815(17)2922(26)186393018)1913(1123)21(24)281652414(25)20(16)19h361019H24524H21H3
MFCD02324811
ZINC000000709762
ZINC000000709763
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