Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK701186
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C25H31NO4S MW 441.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4S/c1-15-21(24(28)30-14-17-6-5-11-29-17)22(16-7-9-18(31-4)10-8-16)23-19(26-15)12-25(2,3)13-20(23)27/h7-10,17,22,26H,5-6,11-14H2,1-4H3
InChIKey
QCWNEXDDHRHROP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCC4CCCO4
InChI=1SC25H31NO4Sc11521(24(28)30141765112917)22(167918(314)10816)2319(2615)1225(23)1320(23)27h710172226H561114H214H3
MFCD01528075
oxolan2ylmethyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000000707951
ZINC000000707954

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Available files

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