Vitas-M small molecule compound

1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-(morpholin-4-ylmethyl)benzoate

Catalog ID
STL059522
SMILES C=CCN1C(=C(OC(=O)c2ccc(cc2)CN2CCOCC2)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 C30H28N2O6S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O6S/c1-2-16-32-27(28(33)23-8-4-3-5-9-23)29(25-10-6-7-11-26(25)39(32,35)36)38-30(34)24-14-12-22(13-15-24)21-31-17-19-37-20-18-31/h2-15H,1,16-21H2
InChIKey
NWQBVCIRVYDSHE-UHFFFAOYSA-N
Synonyms
840483-48-9
(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)4(morpholin4ylmethyl)benzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl4(morpholin4ylmethyl)benzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl4(morpholinomethyl)benzoate
840483489
C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)CN4CCOCC4)C(=O)C5=CC=CC=C5
InChI=1SC30H28N2O6Sc12163227(28(33)238435923)29(2510671126(25)39(3235)36)3830(34)24141222(131524)2131171937201831h215H11621H2
MFCD04007217
ZINC000097952656
ZINC97952656

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Available files

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