Vitas-M small molecule compound
methyl 3-{[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycyl]amino}-4-methylbenzoate
Catalog ID
STL032568
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccc2c(c1)OCCO2)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 C20H22N2O7S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O7S/c1-13-4-5-14(20(24)27-2)10-16(13)21-19(23)12-22(30(3,25)26)15-6-7-17-18(11-15)29-9-8-28-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)InChIKey
PQHRJEAGYNQZFD-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C
InChI=1SC20H22N2O7Sc1134514(20(24)272)1016(13)2119(23)1222(30(325)26)15671718(1115)29982817h471011H8912H213H3(H2123)
METHYL3((2(23DIHYDRO14BENZODIOXIN6YL(METHYLSULFONYL)AMINO)ACETYL)AMINO)4METHYLBENZOATE
methyl3((N(23dihydro14benzodioxin6yl)N(methylsulfonyl)glycyl)amino)4methylbenzoate
METHYL3(2(2H3HBENZO(34E)14DIOXIN6YL(METHYLSULFONYL)AMINO)ACETYLAMINO)4METHYLBENZOATE
MFCD05817746
ZINC000013564306
ZINC13564306
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