Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,7-dimethyl-4-oxo-N-[4-(propan-2-yl)benzyl]-4H-chromene-2-carboxamide
Catalog ID
STK911392
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)c1cc(=O)c2c(o1)cc(c(c2)C)C
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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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5S/c1-16(2)20-7-5-19(6-8-20)14-27(21-9-10-33(30,31)15-21)26(29)25-13-23(28)22-11-17(3)18(4)12-24(22)32-25/h5-8,11-13,16,21H,9-10,14-15H2,1-4H3InChIKey
GLTPMHRGUXPZAQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)N(CC3=CC=C(C=C3)C(C)C)C4CCS(=O)(=O)C4)C
InChI=1SC26H29NO5Sc116(2)207519(6820)1427(2191033(3031)1521)26(29)251323(28)221117(3)18(4)1224(22)3225h5811131621H9101415H214H3
MFCD07426289
N(11dioxidotetrahydrothiophen3yl)67dimethyl4oxoN(4(propan2yl)benzyl)4Hchromene2carboxamide
N(11dioxothiolan3yl)67dimethyl4oxoN((4propan2ylphenyl)methyl)chromene2carboxamide
ZINC000008915626
ZINC000008915630
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