Vitas-M small molecule compound

propyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate

Catalog ID
STK434206
SMILES CCCOC(=O)c1c(NC(=O)CCCOc2ccc(cc2C)Cl)sc(c1c1ccc(cc1)OC)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 C27H30ClNO5S MW 516.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO5S/c1-5-14-34-27(31)25-24(19-8-11-21(32-4)12-9-19)18(3)35-26(25)29-23(30)7-6-15-33-22-13-10-20(28)16-17(22)2/h8-13,16H,5-7,14-15H2,1-4H3,(H,29,30)
InChIKey
UPUKMGQFNQATFU-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C
InChI=1SC27H30ClNO5Sc15143427(31)2524(1981121(324)12919)18(3)3526(25)2923(30)76153322131020(28)1617(22)2h81316H571415H214H3(H2930)
MFCD03759473
propyl2((4(4chloro2methylphenoxy)butanoyl)amino)4(4methoxyphenyl)5methylthiophene3carboxylate
PROPYL2(4(4CHLORO2METHYLPHENOXY)BUTANOYLAMINO)4(4METHOXYPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
ZINC000020562507
ZINC20562507

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Available files

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