Vitas-M small molecule compound
2-(cyanomethyl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl pentanoate
Catalog ID
STK725107
SMILES CCCCC(=O)OC1=C(C(=O)c2ccccc2)N(CC#N)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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-2-3-13-19(25)29-22-17-11-7-8-12-18(17)30(27,28)24(15-14-23)20(22)21(26)16-9-5-4-6-10-16/h4-12H,2-3,13,15H2,1H3InChIKey
KKOFUCMSYIUDLZ-UHFFFAOYSA-NSynonyms
921053-41-0(3benzoyl2(cyanomethyl)11dioxo1$l^(6)2benzothiazin4yl)pentanoate
2(cyanomethyl)11dioxido3(phenylcarbonyl)2H12benzothiazin4ylpentanoate
3benzoyl2(cyanomethyl)11dioxido2Hbenzo(e)(12)thiazin4ylpentanoate
921053410
CCCCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)CC#N)C(=O)C3=CC=CC=C3
InChI=1SC22H20N2O5Sc1231319(25)29221711781218(17)30(2728)24(151423)20(22)21(26)1695461016h412H231315H21H3
MFCD08749676
ZINC000009418468
ZINC09418468
ZINC9418468
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