Vitas-M small molecule compound
methyl 4-[6-chloro-1,1-dioxido-2-(piperidin-1-ylcarbonyl)-4H-1,4-benzothiazin-4-yl]benzoate
Catalog ID
STL097191
SMILES COC(=O)c1ccc(cc1)N1C=C(C(=O)N2CCCCC2)S(=O)(=O)c2c1cc(Cl)cc2
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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 C22H21ClN2O5S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5S/c1-30-22(27)15-5-8-17(9-6-15)25-14-20(21(26)24-11-3-2-4-12-24)31(28,29)19-10-7-16(23)13-18(19)25/h5-10,13-14H,2-4,11-12H2,1H3InChIKey
YONUEBRLRGUBFQ-UHFFFAOYSA-NSynonyms
1251580-31-01251580310
COC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)Cl)C(=O)N4CCCCC4
InChI=1SC22H21ClN2O5Sc13022(27)155817(9615)251420(21(26)24113241224)31(2829)1910716(23)1318(19)25h5101314H241112H21H3
methyl4(6chloro11dioxido2(piperidin1ylcarbonyl)4H14benzothiazin4yl)benzoate
METHYL4(6CHLORO11DIOXIDO2(PIPERIDINE1CARBONYL)4HBENZO(B)(14)THIAZIN4YL)BENZOATE
methyl4(6chloro11dioxo2(piperidine1carbonyl)1$l^(6)4benzothiazin4yl)benzoate
MFCD16636287
ZINC000048990191
ZINC48990191
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