Vitas-M small molecule compound
cyclopentyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK065309
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)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)26-15-6-4-5-7-15)19(14-8-9-27-12-14)20-16(23-13)10-22(2,3)11-17(20)24/h8-9,12,15,19,23H,4-7,10-11H2,1-3H3InChIKey
XRIQQDIFZJLEQH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC4CCCC4
cyclopentyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
InChI=1SC22H27NO3Sc11318(21(25)2615645715)19(1489271214)2016(2313)1022(23)1117(20)24h8912151923H471011H213H3
MFCD02627239
O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)OC1CCCC1
STK065309
ZINC000019774801
ZINC000019774803
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