Vitas-M small molecule compound
1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl 3,4-dimethoxybenzoate
Catalog ID
STK859996
SMILES C=CCN1C(=C(OC(=O)c2ccc(c(c2)OC)OC)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 C27H23NO7S MW 505.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO7S/c1-4-16-28-24(25(29)18-10-6-5-7-11-18)26(20-12-8-9-13-23(20)36(28,31)32)35-27(30)19-14-15-21(33-2)22(17-19)34-3/h4-15,17H,1,16H2,2-3H3InChIKey
UEIRXGVWSGLAHH-UHFFFAOYSA-NSynonyms
587009-92-5(3benzoyl11dioxo2prop2enyl1$l^(6)2benzothiazin4yl)34dimethoxybenzoate
11dioxido3(phenylcarbonyl)2(prop2en1yl)2H12benzothiazin4yl34dimethoxybenzoate
2allyl3benzoyl11dioxido2Hbenzo(e)(12)thiazin4yl34dimethoxybenzoate
587009925
COC1=C(C=C(C=C1)C(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4)OC
InChI=1SC27H23NO7Sc14162824(25(29)18106571118)26(2012891323(20)36(2831)32)3527(30)19141521(332)22(1719)343h41517H116H223H3
MFCD04033760
ZINC000002397875
ZINC02397875
ZINC2397875
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