Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
Catalog ID
STK911582
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-17-12-22-23(29)14-25(33-24(22)13-18(17)2)26(30)28(21-10-11-34(31,32)16-21)15-19-6-8-20(9-7-19)27(3,4)5/h6-9,12-14,21H,10-11,15-16H2,1-5H3InChIKey
HKDYOWJZTBLYMB-UHFFFAOYSA-NSynonyms
874128-82-2874128822
CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)N(CC3=CC=C(C=C3)C(C)(C)C)C4CCS(=O)(=O)C4)C
InChI=1SC27H31NO5Sc117122223(29)1425(3324(22)1318(17)2)26(30)28(21101134(3132)1621)15196820(9719)27(34)5h69121421H10111516H215H3
MFCD07426501
N((4tertbutylphenyl)methyl)N(11dioxothiolan3yl)67dimethyl4oxochromene2carboxamide
N(4tertbutylbenzyl)N(11dioxidotetrahydrothiophen3yl)67dimethyl4oxo4Hchromene2carboxamide
ZINC000008915845
ZINC000008915846
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