Vitas-M small molecule compound
2-[1,1-dioxido-3-(phenylcarbonyl)-4-(piperidin-1-yl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK725062
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(N2CCCCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
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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 C28H25N3O6S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6S/c32-24(20-13-15-22(16-14-20)31(34)35)19-30-27(28(33)21-9-3-1-4-10-21)26(29-17-7-2-8-18-29)23-11-5-6-12-25(23)38(30,36)37/h1,3-6,9-16H,2,7-8,17-19H2InChIKey
ZZRVJUFWXZLJNR-UHFFFAOYSA-NSynonyms
364626-30-22(11dioxido3(phenylcarbonyl)4(piperidin1yl)2H12benzothiazin2yl)1(4nitrophenyl)ethanone
2(3BENZOYL11DIOXIDO4(1PIPERIDINYL)2H12BENZOTHIAZIN2YL)1(4NITROPHENYL)ETHANONE
2(3benzoyl11dioxido4(piperidin1yl)2Hbenzo(e)(12)thiazin2yl)1(4nitrophenyl)ethanone
2(3benzoyl11dioxo4piperidin1yl1$l^(6)2benzothiazin2yl)1(4nitrophenyl)ethanone
364626302
C1CCN(CC1)C2=C(N(S(=O)(=O)C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5
InChI=1SC28H25N3O6Sc3224(20131522(161420)31(34)35)193027(28(33)2193141021)26(29177281829)2311561225(23)38(3036)37h136916H2781719H2
MFCD02236628
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=C(N2CCCCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
ZINC000000716096
ZINC00716096
ZINC716096
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.