Vitas-M small molecule compound

5-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid

Catalog ID
STK424143
SMILES COC(=O)c1c(NC(=O)CCCC(=O)O)sc(c1c1ccc(c(c1)C)C)C

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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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-11-8-9-14(10-12(11)2)17-13(3)27-19(18(17)20(25)26-4)21-15(22)6-5-7-16(23)24/h8-10H,5-7H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
QLSCKNBYNNNLTO-UHFFFAOYSA-N
Synonyms

4(N(4(34DIMETHYLPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BUTANOICACID
5((4(34dimethylphenyl)3(methoxycarbonyl)5methylthiophen2yl)amino)5oxopentanoicacid
5((4(34DIMETHYLPHENYL)3METHOXYCARBONYL5METHYLTHIOPHEN2YL)AMINO)5OXOPENTANOICACID
CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCC(=O)O)C)C
InChI=1SC20H23NO5Sc1118914(1012(11)2)1713(3)2719(18(17)20(25)264)2115(22)65716(23)24h810H57H214H3(H2122)(H2324)
MFCD02176844
ZINC000003890056
ZINC3890056

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Available files

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