Vitas-M small molecule compound

ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK020699
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccc(cc1OC)OC

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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 C25H24N2O8S MW 512.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O8S/c1-5-33-25(30)20-13(2)21(23(29)26-16-8-7-15(31-3)11-18(16)32-4)36-24(20)27-22(28)14-6-9-17-19(10-14)35-12-34-17/h6-11H,5,12H2,1-4H3,(H,26,29)(H,27,28)
InChIKey
AYCRHPHWIMGQNH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)C3=CC4=C(C=C3)OCO4
CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccc(cc1OC)OC
ETHYL2((13BENZODIOXOL5YLCARBONYL)AMINO)5((24DIMETHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(13BENZODIOXOLE5CARBONYLAMINO)5((24DIMETHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)5(N(24DIMETHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC25H24N2O8Sc153325(30)2013(2)21(23(29)26168715(313)1118(16)324)3624(20)2722(28)14691719(1014)35123417h611H512H214H3(H2629)(H2728)
MFCD01975558
STK020699
ZINC000009860964
ZINC09860964
ZINC9860964

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Available files

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