Vitas-M small molecule compound

4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid

Catalog ID
STK436508
SMILES COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC(C2)c1ccccc1

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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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-26-20(25)18-14-8-7-13(12-5-3-2-4-6-12)11-15(14)27-19(18)21-16(22)9-10-17(23)24/h2-6,13H,7-11H2,1H3,(H,21,22)(H,23,24)
InChIKey
JWQDYWSEMAUTKI-UHFFFAOYSA-N
Synonyms

4((3(methoxycarbonyl)6phenyl4567tetrahydro1benzothiophen2yl)amino)4oxobutanoicacid
4((3methoxycarbonyl6phenyl4567tetrahydro1benzothiophen2yl)amino)4oxobutanoicacid
COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)O
InChI=1SC20H21NO5Sc12620(25)18148713(125324612)1115(14)2719(18)2116(22)91017(23)24h2613H711H21H3(H2122)(H2324)
MFCD02255556
ZINC000006179791
ZINC000006179793

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Available files

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