Vitas-M small molecule compound

methyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK956394
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(c(s1)CC)COc1ccc(cc1)Br)C(=O)CCC2

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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 C25H26BrNO4S MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrNO4S/c1-4-20-15(13-31-17-10-8-16(26)9-11-17)12-21(32-20)24-22(25(29)30-3)14(2)27-18-6-5-7-19(28)23(18)24/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey
UAFXIKWUZGPBBL-UHFFFAOYSA-N
Synonyms

CCC1=C(C=C(S1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br
InChI=1SC25H26BrNO4Sc142015(13311710816(26)91117)1221(3220)2422(25(29)303)14(2)271865719(28)23(18)24h8122427H4713H213H3
methyl4(4((4bromophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((4bromophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03075225
ZINC000008441841
ZINC000008441842

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Available files

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