Vitas-M small molecule compound

ethyl 2-[({5-[(2-chloroethyl)(methyl)sulfamoyl]-2-methoxyphenyl}carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK807326
SMILES ClCCN(S(=O)(=O)c1ccc(c(c1)C(=O)Nc1sc(c(c1C(=O)OCC)C)C)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 C20H25ClN2O6S2 MW 489.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN2O6S2/c1-6-29-20(25)17-12(2)13(3)30-19(17)22-18(24)15-11-14(7-8-16(15)28-5)31(26,27)23(4)10-9-21/h7-8,11H,6,9-10H2,1-5H3,(H,22,24)
InChIKey
MRFWBYATIPAUHI-UHFFFAOYSA-N
Synonyms
620571-45-1
620571451
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)CCCl)OC
ethyl2(((5((2chloroethyl)(methyl)sulfamoyl)2methoxyphenyl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((5(((2CHLOROETHYL)METHYLAMINO)SULFONYL)2METHOXYPHENYL)CARBONYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((5(2CHLOROETHYL(METHYL)SULFAMOYL)2METHOXYBENZOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(5(N(2CHLOROETHYL)NMETHYLSULFAMOYL)2METHOXYBENZAMIDO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H25ClN2O6S2c162920(25)1712(2)13(3)3019(17)2218(24)151114(7816(15)285)31(2627)23(4)10921h7811H6910H215H3(H2224)
MFCD04442799
ZINC000002696154
ZINC02696154
ZINC2696154

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Available files

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