Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406744
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCCC)C(=O)CC(C2)c1ccccc1
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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 C30H35NO4S MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4S/c1-4-15-34-26-14-10-9-13-23(26)28-27(30(33)35-16-17-36-5-2)20(3)31-24-18-22(19-25(32)29(24)28)21-11-7-6-8-12-21/h6-14,22,28,31H,4-5,15-19H2,1-3H3InChIKey
DUWXINULTZKLJP-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl5oxo7phenyl4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo7phenyl4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCSCC)C
InChI=1SC30H35NO4Sc14153426141091323(26)2827(30(33)3516173652)20(3)31241822(1925(32)29(24)28)21117681221h614222831H451519H213H3
MFCD01590153
ZINC000009600692
ZINC000009600794
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