Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(5-ethylthiophen-2-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077600
SMILES CCc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)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 C26H29NO4S2 MW 483.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4S2/c1-3-18-8-9-22(33-18)25-23(26(29)31-14-17-6-4-10-30-17)15(2)27-19-12-16(13-20(28)24(19)25)21-7-5-11-32-21/h5,7-9,11,16-17,25,27H,3-4,6,10,12-14H2,1-2H3InChIKey
VJBUUUDBNPBKAF-UHFFFAOYSA-NSynonyms
CCC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C
CCc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC26H29NO4S2c13188922(3318)2523(26(29)31141764103017)15(2)27191216(1320(28)24(19)25)2175113221h5791116172527H346101214H212H3
MFCD02868459
oxolan2ylmethyl4(5ethylthiophen2yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK077600
tetrahydrofuran2ylmethyl4(5ethylthiophen2yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000009635802
ZINC000229906084
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