Vitas-M small molecule compound
3,4-dimethylphenyl 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate
Catalog ID
STK757518
SMILES O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1)Oc1ccc(c(c1)C)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 C21H24ClNO4S MW 421.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO4S/c1-15-7-8-17(13-16(15)2)27-21(24)19-14-18(9-10-20(19)22)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3InChIKey
MMDCVXZDJBRSOV-UHFFFAOYSA-NSynonyms
(34DIMETHYLPHENYL)5(AZEPAN1YLSULFONYL)2CHLOROBENZOATE
34dimethylphenyl5(azepan1ylsulfonyl)2chlorobenzoate
5(AZEPANE1SULFONYL)2CHLOROBENZOICACID34DIMETHYLPHENYLESTER
CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C
InChI=1SC21H24ClNO4Sc1157817(1316(15)2)2721(24)191418(91020(19)22)28(2526)231153461223h7101314H361112H212H3
MFCD01122490
ZINC000000793043
ZINC00793043
ZINC793043
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