Vitas-M small molecule compound

4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid

Catalog ID
STK031662
SMILES CCCCC(c1csc(n1)Nc1ccc(cc1)C)(C(=O)OCC)CCC(=O)O

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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 C21H28N2O4S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4S/c1-4-6-12-21(13-11-18(24)25,19(26)27-5-2)17-14-28-20(23-17)22-16-9-7-15(3)8-10-16/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23)(H,24,25)
InChIKey
TUIOYHLVYKFMEQ-UHFFFAOYSA-N
Synonyms
301353-08-2
(4R)4(ETHOXYCARBONYL)4(2((4METHYLPHENYL)AMINO)13THIAZOL4YL)OCTANOICACID
(4S)4(ETHOXYCARBONYL)4(2((4METHYLPHENYL)AMINO)13THIAZOL4YL)OCTANOICACID
2BUTYL2(2PTOLYLAMINOTHIAZOL4YL)PENTANEDIOICACID1ETHYLESTER
301353082
4(ETHOXYCARBONYL)4(2((4METHYLPHENYL)AMINO)(13THIAZOL4YL))OCTANOICACID
4(ETHOXYCARBONYL)4(2((4METHYLPHENYL)AMINO)13THIAZOL4YL)OCTANOICACID
4(ethoxycarbonyl)4(2(ptolylamino)thiazol4yl)octanoicacid
4ETHOXYCARBONYL4(2(4METHYLANILINO)13THIAZOL4YL)OCTANOICACID
CCCCC(c1csc(n1)Nc1ccc(cc1)C)(C(=O)OCC)CCC(=O)O
CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC
InChI=1SC21H28N2O4Sc1461221(131118(24)2519(26)2752)17142820(2317)22169715(3)81016h71014H461113H213H3(H2223)(H2425)
MFCD00474713
STK031662
ZINC000002208173
ZINC000002208174

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.