Vitas-M small molecule compound

diethyl 5-[({5-[(2-chloroethyl)(methyl)sulfamoyl]-2-methoxyphenyl}carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK807324
SMILES ClCCN(S(=O)(=O)c1ccc(c(c1)C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC)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 C22H27ClN2O8S2 MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN2O8S2/c1-6-32-21(27)17-13(3)18(22(28)33-7-2)34-20(17)24-19(26)15-12-14(8-9-16(15)31-5)35(29,30)25(4)11-10-23/h8-9,12H,6-7,10-11H2,1-5H3,(H,24,26)
InChIKey
XSBFTCFYIDKVJM-UHFFFAOYSA-N
Synonyms
690246-50-5
690246505
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)CCCl)OC
diethyl5(((5((2chloroethyl)(methyl)sulfamoyl)2methoxyphenyl)carbonyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((5(2CHLOROETHYL(METHYL)SULFAMOYL)2METHOXYBENZOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5(5(N(2CHLOROETHYL)NMETHYLSULFAMOYL)2METHOXYBENZAMIDO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((5(((2CHLOROETHYL)METHYLAMINO)SULFONYL)2METHOXYPHENYL)CARBONYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H27ClN2O8S2c163221(27)1713(3)18(22(28)3372)3420(17)2419(26)151214(8916(15)315)35(2930)25(4)111023h8912H671011H215H3(H2426)
MFCD04442797
ZINC000097986542
ZINC97986542

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Available files

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