Vitas-M small molecule compound
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl thiophene-2-carboxylate
Catalog ID
STK763898
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c22-11-14-18(19-15(24)3-1-4-16(19)27-20(14)23)12-6-8-13(9-7-12)26-21(25)17-5-2-10-28-17/h2,5-10,18H,1,3-4,23H2InChIKey
OLHORZVZNPZQGU-UHFFFAOYSA-NSynonyms
(4(2amino3cyano5oxo4678tetrahydrochromen4yl)phenyl)thiophene2carboxylate
4(2amino3cyano5oxo5678tetrahydro4Hchromen4yl)phenylthiophene2carboxylate
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)C(=O)C1
InChI=1SC21H16N2O4Sc22111418(1915(24)31416(19)2720(14)23)126813(9712)2621(25)1752102817h251018H13423H2
MFCD02324812
ZINC000000709764
ZINC000000709765
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