Vitas-M small molecule compound
ethyl 4-[1,1-dioxido-2-(pyrrolidin-1-ylcarbonyl)-4H-1,4-benzothiazin-4-yl]benzoate
Catalog ID
STL097085
SMILES CCOC(=O)c1ccc(cc1)N1C=C(C(=O)N2CCCC2)S(=O)(=O)c2c1cccc2
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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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-2-29-22(26)16-9-11-17(12-10-16)24-15-20(21(25)23-13-5-6-14-23)30(27,28)19-8-4-3-7-18(19)24/h3-4,7-12,15H,2,5-6,13-14H2,1H3InChIKey
GQBVUCSZNOURKX-UHFFFAOYSA-NSynonyms
1251690-76-21251690762
CCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=CC=CC=C32)C(=O)N4CCCC4
ethyl4(11dioxido2(pyrrolidin1ylcarbonyl)4H14benzothiazin4yl)benzoate
ETHYL4(11DIOXIDO2(PYRROLIDINE1CARBONYL)4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl4(11dioxo2(pyrrolidine1carbonyl)1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC22H22N2O5Sc122922(26)1691117(121016)241520(21(25)2313561423)30(2728)19843718(19)24h3471215H2561314H21H3
MFCD18788906
ZINC000049003767
ZINC49003767
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