Vitas-M small molecule compound

ethyl 4-({(furan-2-ylmethyl)[(4-methylphenyl)sulfonyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Catalog ID
STK769417
SMILES CCOC(=O)c1[nH]c(c(c1C)CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccco1)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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-5-28-22(25)21-16(3)20(17(4)23-21)14-24(13-18-7-6-12-29-18)30(26,27)19-10-8-15(2)9-11-19/h6-12,23H,5,13-14H2,1-4H3
InChIKey
XGNOXKVIIKPGIR-UHFFFAOYSA-N
Synonyms

CCOC(=O)c1(nH)c(c(c1C)CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccco1)C
CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C)C
ETHYL4(((2FURYLMETHYL)((4METHYLPHENYL)SULFONYL)AMINO)METHYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4(((furan2ylmethyl)((4methylphenyl)sulfonyl)amino)methyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((FURAN2YLMETHYL(4METHYLPHENYL)SULFONYLAMINO)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC22H26N2O5Sc152822(25)2116(3)20(17(4)2321)1424(131876122918)30(2627)1910815(2)91119h61223H51314H214H3
MFCD03409035
ZINC000001097287
ZINC01097287
ZINC1097287

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Available files

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