Vitas-M small molecule compound
methyl 2-{2-[(3-methylphenyl)amino]-2-oxoethyl}-4-phenyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Catalog ID
STL104913
SMILES COC(=O)C1=C(c2ccccc2)c2ccccc2S(=O)(=O)N1CC(=O)Nc1cccc(c1)C
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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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-17-9-8-12-19(15-17)26-22(28)16-27-24(25(29)32-2)23(18-10-4-3-5-11-18)20-13-6-7-14-21(20)33(27,30)31/h3-15H,16H2,1-2H3,(H,26,28)InChIKey
LBTNSXSYJXHRCE-UHFFFAOYSA-NSynonyms
1114657-89-41114657894
CC1=CC(=CC=C1)NC(=O)CN2C(=C(C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4)C(=O)OC
InChI=1SC25H22N2O5Sc117981219(1517)2622(28)162724(25(29)322)23(18104351118)2013671421(20)33(2730)31h315H16H212H3(H2628)
methyl2(2((3methylphenyl)amino)2oxoethyl)4phenyl2H12benzothiazine3carboxylate11dioxide
methyl2(2(3methylanilino)2oxoethyl)11dioxo4phenyl1$l^(6)2benzothiazine3carboxylate
METHYL2(2OXO2(MTOLYLAMINO)ETHYL)4PHENYL2HBENZO(E)(12)THIAZINE3CARBOXYLATE11DIOXIDE
MFCD14954142
ZINC000032984899
ZINC32984899
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