Vitas-M small molecule compound
methyl 2-({[4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)phenyl]sulfonyl}amino)-3,4,5-trimethoxybenzoate
Catalog ID
STK736766
SMILES COC(=O)c1cc(OC)c(c(c1NS(=O)(=O)c1ccc(cc1)n1c(=O)n2n(c1=O)CCC2)OC)OC
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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 C22H24N4O9S MW 520.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O9S/c1-32-16-12-15(20(27)35-4)17(19(34-3)18(16)33-2)23-36(30,31)14-8-6-13(7-9-14)26-21(28)24-10-5-11-25(24)22(26)29/h6-9,12,23H,5,10-11H2,1-4H3InChIKey
ILZFITWEAWTIAL-UHFFFAOYSA-NSynonyms
COC1=C(C(=C(C(=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)N4CCCN4C3=O)OC)OC
InChI=1SC22H24N4O9Sc132161215(20(27)354)17(19(343)18(16)332)2336(3031)148613(7914)2621(28)241051125(24)22(26)29h691223H51011H214H3
methyl2(((4(13dioxodihydro1H5Hpyrazolo(12a)(124)triazol2(3H)yl)phenyl)sulfonyl)amino)345trimethoxybenzoate
methyl2((4(13dioxo67dihydro5Hpyrazolo(12a)(124)triazol2yl)phenyl)sulfonylamino)345trimethoxybenzoate
MFCD08142750
ZINC000012418094
ZINC12418094
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