Vitas-M small molecule compound

propyl 4-(4-butylphenyl)-2-{[(2,5-dimethylfuran-3-yl)carbonyl]amino}-5-methylthiophene-3-carboxylate

Catalog ID
STK449251
SMILES CCCOC(=O)c1c(sc(c1c1ccc(cc1)CCCC)C)NC(=O)c1cc(oc1C)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 C26H31NO4S MW 453.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4S/c1-6-8-9-19-10-12-20(13-11-19)22-18(5)32-25(23(22)26(29)30-14-7-2)27-24(28)21-15-16(3)31-17(21)4/h10-13,15H,6-9,14H2,1-5H3,(H,27,28)
InChIKey
PQVHJJRDWXMQOP-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCCC)NC(=O)C3=C(OC(=C3)C)C)C
InChI=1SC26H31NO4Sc168919101220(131119)2218(5)3225(23(22)26(29)301472)2724(28)211516(3)3117(21)4h101315H6914H215H3(H2728)
MFCD03075484
PROPYL2((25DIMETHYL(3FURYL))CARBONYLAMINO)4(4BUTYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
propyl4(4butylphenyl)2(((25dimethylfuran3yl)carbonyl)amino)5methylthiophene3carboxylate
PROPYL4(4BUTYLPHENYL)2((25DIMETHYL3FUROYL)AMINO)5METHYL3THIOPHENECARBOXYLATE
PROPYL4(4BUTYLPHENYL)2((25DIMETHYLFURAN3CARBONYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
ZINC000002773716
ZINC02773716
ZINC2773716

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Available files

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