Vitas-M small molecule compound
1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-nitrobenzoate
Catalog ID
STK859997
SMILES C=CCN1C(=C(OC(=O)c2ccc(cc2)[N+](=O)[O-])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 C25H18N2O7S MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7S/c1-2-16-26-22(23(28)17-8-4-3-5-9-17)24(20-10-6-7-11-21(20)35(26,32)33)34-25(29)18-12-14-19(15-13-18)27(30)31/h2-15H,1,16H2InChIKey
IJUKIWUMHACNGN-UHFFFAOYSA-NSynonyms
577960-23-7(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)4nitrobenzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl4nitrobenzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl4nitrobenzoate
577960237
C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=CC=C4
C=CCN1C(=C(OC(=O)c2ccc(cc2)(N+)(=O)(O))c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
InChI=1SC25H18N2O7Sc12162622(23(28)178435917)24(2010671121(20)35(2632)33)3425(29)18121419(151318)27(30)31h215H116H2
MFCD04028516
ZINC000001111770
ZINC01111770
ZINC1111770
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