Vitas-M small molecule compound
methyl (2Z)-5-(2-methylpropyl)-2-({[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL243287
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2nn(C(C)C)c(=O)c3c2cccc3)/sc1CC(C)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-12(2)10-17-19(21(29)30-5)24-22(31-17)23-18(27)11-16-14-8-6-7-9-15(14)20(28)26(25-16)13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,23,24,27)InChIKey
ZLMHOAFECHVTQW-UHFFFAOYSA-NSynonyms
1351693-10-11351693101
CC(C)CC1=C(N=C(S1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)Cc2nn(C(C)C)c(=O)c3c2cccc3)sc1CC(C)C
InChI=1SC22H26N4O4Sc112(2)101719(21(29)305)2422(3117)2318(27)111614867915(14)20(28)26(2516)13(3)4h691213H1011H215H3(H232427)
methyl(2Z)5(2methylpropyl)2(((4oxo3(propan2yl)34dihydrophthalazin1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methylpropyl)2((2(4oxo3propan2ylphthalazin1yl)acetyl)amino)13thiazole4carboxylate
MFCD24859591
ZINC000072400905
ZINC72400905
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