Vitas-M small molecule compound
2-methylpropyl 4-(5-ethylthiophen-2-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035294
SMILES CCc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
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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 C25H29NO3S2 MW 455.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO3S2/c1-5-17-8-9-21(31-17)24-22(25(28)29-13-14(2)3)15(4)26-18-11-16(12-19(27)23(18)24)20-7-6-10-30-20/h6-10,14,16,24,26H,5,11-13H2,1-4H3InChIKey
CXSWLZDCNLFVNP-UHFFFAOYSA-NSynonyms
2methylpropyl4(5ethylthiophen2yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(5ethylthiophen2yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC(C)C)C
CCc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
InChI=1SC25H29NO3S2c15178921(3117)2422(25(28)291314(2)3)15(4)26181116(1219(27)23(18)24)2076103020h61014162426H51113H214H3
MFCD02627359
STK035294
ZINC000008855017
ZINC000008855020
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