Vitas-M small molecule compound
methyl 3-{[N-(1,3-benzodioxol-5-yl)-N-(methylsulfonyl)glycyl]amino}-4-chlorobenzoate
Catalog ID
STL087331
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccc2c(c1)OCO2)Cl
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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 C18H17ClN2O7S MW 440.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O7S/c1-26-18(23)11-3-5-13(19)14(7-11)20-17(22)9-21(29(2,24)25)12-4-6-15-16(8-12)28-10-27-15/h3-8H,9-10H2,1-2H3,(H,20,22)InChIKey
ZERSVPOQUZQCCP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C
InChI=1SC18H17ClN2O7Sc12618(23)113513(19)14(711)2017(22)921(29(224)25)12461516(812)28102715h38H910H212H3(H2022)
METHYL3((2(13BENZODIOXOL5YL(METHYLSULFONYL)AMINO)ACETYL)AMINO)4CHLOROBENZOATE
methyl3((N(13benzodioxol5yl)N(methylsulfonyl)glycyl)amino)4chlorobenzoate
METHYL3((N13BENZODIOXOL5YLN(METHYLSULFONYL)GLYCYL)AMINO)4CHLOROBENZOATE
MFCD05836618
ZINC000002874632
ZINC02874632
ZINC2874632
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