Vitas-M small molecule compound
methyl (2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enoate
Catalog ID
STL133293
SMILES COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)/S(=O)(=O)c1ccc(cc1)C(C)(C)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 C22H25NO6S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6S/c1-22(2,3)15-5-8-17(9-6-15)30(25,26)20(21(24)27-4)14-23-16-7-10-18-19(13-16)29-12-11-28-18/h5-10,13-14,23H,11-12H2,1-4H3/b20-14+InChIKey
REIGNGZUWDVQJS-XSFVSMFZSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC3=C(C=C2)OCCO3)C(=O)OC
COC(=O)C(=CNc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC22H25NO6Sc122(23)155817(9615)30(2526)20(21(24)274)1423167101819(1316)2912112818h510131423H1112H214H3b2014+
methyl(2E)2((4tertbutylphenyl)sulfonyl)3(23dihydro14benzodioxin6ylamino)prop2enoate
methyl(E)2(4tertbutylphenyl)sulfonyl3(23dihydro14benzodioxin6ylamino)prop2enoate
MFCD20753613
ZINC000067340445
ZINC67340445
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