Vitas-M small molecule compound

2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-methylbenzenesulfonate

Catalog ID
STL382888
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(=S)N1CCOCC1

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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 C20H23NO5S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S2/c1-3-25-19-14-16(20(27)21-10-12-24-13-11-21)6-9-18(19)26-28(22,23)17-7-4-15(2)5-8-17/h4-9,14H,3,10-13H2,1-2H3
InChIKey
XHIXFDTXAVGCSA-UHFFFAOYSA-N
Synonyms

(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYLBENZENESULFONATE
(2ETHOXY4MORPHOLIN4YLCARBOTHIOYLPHENYL)4METHYLBENZENESULFONATE
2ethoxy4(morpholin4ylcarbonothioyl)phenyl4methylbenzenesulfonate
2ETHOXY4(MORPHOLIN4YLCARBOTHIOYL)PHENYL4METHYLBENZENESULFONATE
4METHYLBENZENESULFONICACID(2ETHOXY4(4MORPHOLINYL(SULFANYLIDENE)METHYL)PHENYL)ESTER
4METHYLBENZENESULFONICACID(2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)ESTER
CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC20H23NO5S2c1325191416(20(27)21101224131121)6918(19)2628(2223)177415(2)5817h4914H31013H212H3
MFCD01062066
TOLUENE4SULFONICACID2ETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
ZINC000002948219
ZINC02948219
ZINC2948219

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Available files

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