Vitas-M small molecule compound
methyl 2-{[N-(1,3-benzodioxol-5-yl)-N-(methylsulfonyl)glycyl]amino}benzoate
Catalog ID
STL086916
SMILES COC(=O)c1ccccc1NC(=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)13-5-3-4-6-14(13)19-17(21)10-20(28(2,23)24)12-7-8-15-16(9-12)27-11-26-15/h3-9H,10-11H2,1-2H3,(H,19,21)InChIKey
JHXIGIYZMSHJJM-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CMETHYL2((2(13BENZODIOXOL5YL(METHYLSULFONYL)AMINO)ACETYL)AMINO)BENZOATE
methyl2((N(13benzodioxol5yl)N(methylsulfonyl)glycyl)amino)benzoate
METHYL2(2(2HBENZO(34D)13DIOXOLAN5YL(METHYLSULFONYL)AMINO)ACETYLAMINO)BENZOATE
Registry IDs
MFCD05996392ZINC000000816620
ZINC00816620
ZINC816620
Check stock
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Check stock on Vitas-MAvailable files
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