Vitas-M small molecule compound
dimethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776038
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cscc1)C(=C(N2)C)C(=O)OC)c1cccs1
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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 C22H21NO5S2 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S2/c1-11-16(21(25)27-2)17(12-6-8-29-10-12)19-14(23-11)9-13(15-5-4-7-30-15)18(20(19)24)22(26)28-3/h4-8,10,13,17-18,23H,9H2,1-3H3InChIKey
NAENSSYXXUOWNC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CSC=C4)C(=O)OC
dimethyl2methyl5oxo7(thiophen2yl)4(thiophen3yl)145678hexahydroquinoline36dicarboxylate
dimethyl2methyl5oxo7thiophen2yl4thiophen3yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC22H21NO5S2c11116(21(25)272)17(1268291012)1914(2311)913(155473015)18(20(19)24)22(26)283h481013171823H9H213H3
MFCD05258407
ZINC000001422878
ZINC000217602183
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