Vitas-M small molecule compound
2-benzyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl phenoxyacetate
Catalog ID
STL477729
SMILES O=C(OC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2c1cccc2)COc1ccccc1
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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 C30H23NO6S MW 525.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23NO6S/c32-27(21-36-24-16-8-3-9-17-24)37-30-25-18-10-11-19-26(25)38(34,35)31(20-22-12-4-1-5-13-22)28(30)29(33)23-14-6-2-7-15-23/h1-19H,20-21H2InChIKey
CEHNWBYWHRQZKE-UHFFFAOYSA-NSynonyms
899011-52-0(3benzoyl2benzyl11dioxo1$l^(6)2benzothiazin4yl)2phenoxyacetate
2benzyl11dioxido3(phenylcarbonyl)2H12benzothiazin4ylphenoxyacetate
3BENZOYL2BENZYL11DIOXIDO2H12BENZOTHIAZIN4YLPHENOXYACETATE
899011520
C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3S2(=O)=O)OC(=O)COC4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI=1SC30H23NO6Sc3227(213624168391724)3730251810111926(25)38(3435)31(2022124151322)28(30)29(33)23146271523h119H2021H2
MFCD06244875
ZINC000001410070
ZINC1410070
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