Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
Catalog ID
STK911334
SMILES CCc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cc(c(c2)C)C)C1CCS(=O)(=O)C1
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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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-4-18-5-7-19(8-6-18)14-26(20-9-10-32(29,30)15-20)25(28)24-13-22(27)21-11-16(2)17(3)12-23(21)31-24/h5-8,11-13,20H,4,9-10,14-15H2,1-3H3InChIKey
AQSFZTTYCBCJLW-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=O)C4=CC(=C(C=C4O3)C)C
InChI=1SC25H27NO5Sc14185719(8618)1426(2091032(2930)1520)25(28)241322(27)211116(2)17(3)1223(21)3124h58111320H49101415H213H3
MFCD07426238
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)67dimethyl4oxo4Hchromene2carboxamide
N(11dioxothiolan3yl)N((4ethylphenyl)methyl)67dimethyl4oxochromene2carboxamide
ZINC000008915569
ZINC000008915572
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