Vitas-M small molecule compound
cyclopentyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363652
SMILES O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)OC1CCCC1
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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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-13-18(21(25)26-14-7-4-5-8-14)20(17-9-6-10-27-17)19-15(23-13)11-22(2,3)12-16(19)24/h6,9-10,14,20,23H,4-5,7-8,11-12H2,1-3H3InChIKey
WONMPNXAADXCPZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OC4CCCC4
cyclopentyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
InChI=1SC22H27NO3Sc11318(21(25)2614745814)20(1796102717)1915(2313)1122(23)1216(19)24h6910142023H45781112H213H3
MFCD00770979
ZINC000095201971
ZINC000095201972
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