Vitas-M small molecule compound
methyl (2Z)-5-methyl-2-({[3-(2-methylpropyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL407989
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2nn(CC(C)C)c(=O)c3c2cccc3)/sc1C
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-11(2)10-24-18(26)14-8-6-5-7-13(14)15(23-24)9-16(25)21-20-22-17(12(3)29-20)19(27)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,22,25)InChIKey
MTSIZUSFZKWXDQ-UHFFFAOYSA-NSynonyms
1574496-57-31574496573
CC1=C(N=C(S1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)Cc2nn(CC(C)C)c(=O)c3c2cccc3)sc1C
InChI=1SC20H22N4O4Sc111(2)102418(26)14865713(14)15(2324)916(25)21202217(12(3)2920)19(27)284h5811H910H214H3(H212225)
methyl(2Z)5methyl2(((3(2methylpropyl)4oxo34dihydrophthalazin1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5methyl2((2(3(2methylpropyl)4oxophthalazin1yl)acetyl)amino)13thiazole4carboxylate
MFCD30704998
ZINC000096118750
ZINC96118750
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