Vitas-M small molecule compound

[6-chloro-4-(4-ethoxyphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](morpholin-4-yl)methanone

Catalog ID
STL097230
SMILES CCOc1ccc(cc1)N1C=C(C(=O)N2CCOCC2)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 C21H21ClN2O5S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5S/c1-2-29-17-6-4-16(5-7-17)24-14-20(21(25)23-9-11-28-12-10-23)30(26,27)19-8-3-15(22)13-18(19)24/h3-8,13-14H,2,9-12H2,1H3
InChIKey
CGNCSYGBZLUSKP-UHFFFAOYSA-N
Synonyms
1251560-43-6
(6chloro4(4ethoxyphenyl)11dioxido4H14benzothiazin2yl)(morpholin4yl)methanone
(6CHLORO4(4ETHOXYPHENYL)11DIOXIDO4HBENZO(B)(14)THIAZIN2YL)(MORPHOLINO)METHANONE
(6chloro4(4ethoxyphenyl)11dioxo1$l^(6)4benzothiazin2yl)morpholin4ylmethanone
1251560436
6CHLORO4(4ETHOXYPHENYL)2(MORPHOLIN4YLCARBONYL)4H14BENZOTHIAZINE11DIOXIDE
CCOC1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)Cl)C(=O)N4CCOCC4
InChI=1SC21H21ClN2O5Sc1229176416(5717)241420(21(25)2391128121023)30(2627)198315(22)1318(19)24h381314H2912H21H3
MFCD16636292
ZINC000048990216
ZINC48990216

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.