Vitas-M small molecule compound
ethyl (2Z)-2-{[(6,12-dioxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-5(12H)-yl)acetyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL308874
SMILES CCOC(=O)c1s/c(=N\C(=O)CN2C(=O)C3CCCCN3C(=O)c3c2cccc3)/[nH]c1C
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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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-3-31-21(30)18-13(2)23-22(32-18)24-17(27)12-26-15-9-5-4-8-14(15)19(28)25-11-7-6-10-16(25)20(26)29/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3,(H,23,24,27)InChIKey
ILVNMZXVBHMASB-UHFFFAOYSA-NSynonyms
1401534-99-31401534993
CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O)C
CCOC(=O)c1sc(=NC(=O)CN2C(=O)C3CCCCN3C(=O)c3c2cccc3)(nH)c1C
ethyl(2Z)2(((612dioxo66a78910hexahydropyrido(21c)(14)benzodiazepin5(12H)yl)acetyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2(612dioxo78910tetrahydro6aHpyrido(21c)(14)benzodiazepin5yl)acetyl)amino)4methyl13thiazole5carboxylate
InChI=1SC22H24N4O5Sc133121(30)1813(2)2322(3218)2417(27)122615954814(15)19(28)2511761016(25)20(26)29h458916H3671012H212H3(H232427)
MFCD28028618
ZINC000079493662
ZINC000079493666
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