Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-2-{[(5-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]methyl}furan-2-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STL168146
SMILES C=CCc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(CC)CC

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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 C28H32N2O7S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7S/c1-7-10-18-11-13-20(22(15-18)34-5)36-16-19-12-14-21(37-19)25(31)29-26-23(28(33)35-6)17(4)24(38-26)27(32)30(8-2)9-3/h7,11-15H,1,8-10,16H2,2-6H3,(H,29,31)
InChIKey
WVIIDOIGXZBJIZ-UHFFFAOYSA-N
Synonyms
514816-38-7
514816387
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)CC=C)OC)C(=O)OC)C
InChI=1SC28H32N2O7Sc171018111320(22(1518)345)361619121421(3719)25(31)292623(28(33)356)17(4)24(3826)27(32)30(82)93h71115H181016H226H3(H2931)
METHYL2((5((4ALLYL2METHOXYPHENOXY)METHYL)2FUROYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
methyl5(diethylcarbamoyl)2(((5((2methoxy4(prop2en1yl)phenoxy)methyl)furan2yl)carbonyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2((5((2METHOXY4PROP2ENYLPHENOXY)METHYL)FURAN2CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02175215
ZINC000008454433
ZINC08454433
ZINC8454433

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Available files

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