Vitas-M small molecule compound

2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Catalog ID
STK725892
SMILES N#Cc1c(SCC(=O)c2ccc(c(c2)O)O)nc2c(c1c1ccc(o1)C)CCCC2

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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 C23H20N2O4S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S/c1-13-6-9-21(29-13)22-15-4-2-3-5-17(15)25-23(16(22)11-24)30-12-20(28)14-7-8-18(26)19(27)10-14/h6-10,26-27H,2-5,12H2,1H3
InChIKey
MXVABMLZCFTALY-UHFFFAOYSA-N
Synonyms
313704-90-4
2((2(34dihydroxyphenyl)2oxoethyl)sulfanyl)4(5methylfuran2yl)5678tetrahydroquinoline3carbonitrile
2(2(34dihydroxyphenyl)2oxoethyl)sulfanyl4(5methylfuran2yl)5678tetrahydroquinoline3carbonitrile
313704904
CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC(=C(C=C4)O)O)C#N
InChI=1SC23H20N2O4Sc1136921(2913)2215423517(15)2523(16(22)1124)301220(28)147818(26)19(27)1014h6102627H2512H21H3
MFCD02047820
ZINC000000859194
ZINC00859194
ZINC859194

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Available files

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