Vitas-M small molecule compound

methyl 2,7,7-trimethyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK780300
SMILES COC(=O)C1=C(C)NC2=C(C1c1scc(c1)CN1CCOCC1)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 C23H30N2O4S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O4S/c1-14-19(22(27)28-4)21(20-16(24-14)10-23(2,3)11-17(20)26)18-9-15(13-30-18)12-25-5-7-29-8-6-25/h9,13,21,24H,5-8,10-12H2,1-4H3
InChIKey
RMHPSRRVUFUXKI-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CS3)CN4CCOCC4)C(=O)OC
InChI=1SC23H30N2O4Sc11419(22(27)284)21(2016(2414)1023(23)1117(20)26)18915(133018)122557298625h9132124H581012H214H3
methyl277trimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo1468tetrahydroquinoline3carboxylate
MFCD05860095
ZINC000019874012
ZINC000019874014

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.