Vitas-M small molecule compound
methyl 5-{[N-(1,3-benzodioxol-5-yl)-N-(methylsulfonyl)glycyl]amino}-2-chlorobenzoate
Catalog ID
STL087499
SMILES COC(=O)c1cc(ccc1Cl)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 C18H17ClN2O7S MW 440.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O7S/c1-26-18(23)13-7-11(3-5-14(13)19)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
XXEKJKDDDANQKE-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl
InChI=1SC18H17ClN2O7Sc12618(23)13711(3514(13)19)2017(22)921(29(224)25)12461516(812)28102715h38H910H212H3(H2022)
METHYL5((2(13BENZODIOXOL5YL(METHYLSULFONYL)AMINO)ACETYL)AMINO)2CHLOROBENZOATE
methyl5((N(13benzodioxol5yl)N(methylsulfonyl)glycyl)amino)2chlorobenzoate
METHYL5((N13BENZODIOXOL5YLN(METHYLSULFONYL)GLYCYL)AMINO)2CHLOROBENZOATE
MFCD05837908
ZINC000001065084
ZINC01065084
ZINC1065084
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