Vitas-M small molecule compound
methyl 3-(azepan-1-ylsulfonyl)-4-methylbenzoate
Catalog ID
STL384453
SMILES COC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)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 C15H21NO4S MW 311.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21NO4S/c1-12-7-8-13(15(17)20-2)11-14(12)21(18,19)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3InChIKey
YSOPPNDZFRNADM-UHFFFAOYSA-NSynonyms
3(AZEPANE1SULFONYL)4METHYLBENZOICACIDMETHYLESTER
CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCCCC2
InChI=1SC15H21NO4Sc1127813(15(17)202)1114(12)21(1819)16953461016h7811H36910H212H3
methyl3(azepan1ylsulfonyl)4methylbenzoate
MFCD07360989
ZINC000004866163
ZINC04866163
ZINC4866163
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