Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK093074
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C24H25NO3S MW 407.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO3S/c1-15-20(23(27)28-13-16-7-5-4-6-8-16)21(17-9-10-29-14-17)22-18(25-15)11-24(2,3)12-19(22)26/h4-10,14,21,25H,11-13H2,1-3H3InChIKey
FBDSFIANPXWYTH-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4=CC=CC=C4
InChI=1SC24H25NO3Sc11520(23(27)2813167546816)21(17910291417)2218(2515)1124(23)1219(22)26h410142125H1113H213H3
MFCD02375925
O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)OCc1ccccc1
STK093074
ZINC000019972780
ZINC000019972781
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