Vitas-M small molecule compound
methyl (2Z)-5-(2-methylpropyl)-2-({[3-(2-methylpropyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL311103
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2nn(CC(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 C23H28N4O4S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S/c1-13(2)10-18-20(22(30)31-5)25-23(32-18)24-19(28)11-17-15-8-6-7-9-16(15)21(29)27(26-17)12-14(3)4/h6-9,13-14H,10-12H2,1-5H3,(H,24,25,28)InChIKey
PAUMEEWREOTHKG-UHFFFAOYSA-NSynonyms
1435907-93-91435907939
CC(C)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)sc1CC(C)C
InChI=1SC23H28N4O4Sc113(2)101820(22(30)315)2523(3218)2419(28)111715867916(15)21(29)27(2617)1214(3)4h691314H1012H215H3(H242528)
methyl(2Z)5(2methylpropyl)2(((3(2methylpropyl)4oxo34dihydrophthalazin1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methylpropyl)2((2(3(2methylpropyl)4oxophthalazin1yl)acetyl)amino)13thiazole4carboxylate
MFCD28025910
ZINC000095473820
ZINC95473820
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