Vitas-M small molecule compound
methyl 2-chloro-6-methyl-6H-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate 5,5-dioxide
Catalog ID
STK693991
SMILES COC(=O)c1cc2c(cc1Cl)Oc1c(N(S2(=O)=O)C)cccc1
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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 C15H12ClNO5S MW 353.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClNO5S/c1-17-11-5-3-4-6-12(11)22-13-8-10(16)9(15(18)21-2)7-14(13)23(17,19)20/h3-8H,1-2H3InChIKey
PZXNLPOLFUINOP-UHFFFAOYSA-NSynonyms
CN1C2=CC=CC=C2OC3=C(S1(=O)=O)C=C(C(=C3)Cl)C(=O)OC
InChI=1SC15H12ClNO5Sc11711534612(11)2213810(16)9(15(18)212)714(13)23(1719)20h38H12H3
methyl2chloro6methyl55dioxobenzo(c)(512)benzoxathiazepine3carboxylate
methyl2chloro6methyl6Hdibenzo(bf)(145)oxathiazepine3carboxylate55dioxide
MFCD12034231
ZINC000015109647
ZINC15109647
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