Vitas-M small molecule compound

1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 4-methylbenzoate

Catalog ID
STK859999
SMILES C=CCN1C(=C(OC(=O)c2ccc(cc2)C)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 C26H21NO5S MW 459.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO5S/c1-3-17-27-23(24(28)19-9-5-4-6-10-19)25(21-11-7-8-12-22(21)33(27,30)31)32-26(29)20-15-13-18(2)14-16-20/h3-16H,1,17H2,2H3
InChIKey
JPDZIEOBFJONIL-UHFFFAOYSA-N
Synonyms
843616-35-3
(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)4methylbenzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl4methylbenzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl4methylbenzoate
3BENZOYL11DIOXIDO2(PROP2EN1YL)2H12BENZOTHIAZIN4YL4METHYLBENZOATE
843616353
CC1=CC=C(C=C1)C(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4
InChI=1SC26H21NO5Sc13172723(24(28)1995461019)25(2111781222(21)33(2730)31)3226(29)20151318(2)141620h316H117H22H3
MFCD04013317
ZINC000002415302
ZINC02415302
ZINC2415302

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Available files

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