Vitas-M small molecule compound
4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045363
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(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 C28H31NO4S MW 477.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4S/c1-17-24(27(31)33-16-18-6-10-20(32-4)11-7-18)25(19-8-12-21(34-5)13-9-19)26-22(29-17)14-28(2,3)15-23(26)30/h6-13,25,29H,14-16H2,1-5H3InChIKey
PTPFFRVDOHSKSC-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C
InChI=1SC28H31NO4Sc11724(27(31)33161861020(324)11718)25(1981221(345)13919)2622(2917)1428(23)1523(26)30h6132529H1416H215H3
MFCD02375907
STK045363
ZINC000001201597
ZINC000001201600
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