Vitas-M small molecule compound
methyl 4-{[N-(1,3-benzodioxol-5-yl)-N-(methylsulfonyl)glycyl]amino}benzoate
Catalog ID
STL072235
SMILES COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1ccc2c(c1)OCO2
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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 C18H18N2O7S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O7S/c1-25-18(22)12-3-5-13(6-4-12)19-17(21)10-20(28(2,23)24)14-7-8-15-16(9-14)27-11-26-15/h3-9H,10-11H2,1-2H3,(H,19,21)InChIKey
RFYKLDKSJSQVGJ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C
InChI=1SC18H18N2O7Sc12518(22)123513(6412)1917(21)1020(28(223)24)14781516(914)27112615h39H1011H212H3(H1921)
METHYL4((2(13BENZODIOXOL5YL(METHYLSULFONYL)AMINO)ACETYL)AMINO)BENZOATE
methyl4((N(13benzodioxol5yl)N(methylsulfonyl)glycyl)amino)benzoate
METHYL4((N13BENZODIOXOL5YLN(METHYLSULFONYL)GLYCYL)AMINO)BENZOATE
MFCD05802770
ZINC000002871583
ZINC02871583
ZINC2871583
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