Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363809
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)OCC1CCCO1
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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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-13-18(21(25)27-11-15-5-4-7-26-15)19(14-6-8-28-12-14)20-16(23-13)9-22(2,3)10-17(20)24/h6,8,12,15,19,23H,4-5,7,9-11H2,1-3H3InChIKey
SSZYHSHBAAXNBH-UHFFFAOYSA-NSynonyms
312598-84-8312598848
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4CCCO4
InChI=1SC22H27NO4Sc11318(21(25)2711155472615)19(1468281214)2016(2313)922(23)1017(20)24h6812151923H457911H213H3
MFCD01824524
oxolan2ylmethyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
ZINC000019774608
ZINC000019774614
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