Vitas-M small molecule compound
2-phenoxyethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402365
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
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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/c1-18-24(27(31)33-15-14-32-20-8-6-5-7-9-20)25(19-10-12-21(34-4)13-11-19)26-22(29-18)16-28(2,3)17-23(26)30/h5-13,25,29H,14-17H2,1-4H3InChIKey
TURBGGWVSGUIDL-UHFFFAOYSA-NSynonyms
2phenoxyethyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCCOC4=CC=CC=C4
InChI=1SC28H31NO4Sc11824(27(31)33151432208657920)25(19101221(344)131119)2622(2918)1628(23)1723(26)30h5132529H1417H214H3
MFCD01306177
ZINC000002775458
ZINC000002775459
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