Vitas-M small molecule compound
methyl (2Z)-2-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]imino}-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL317179
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCC2NC(=O)c3c(N=C2O)cccc3)/sc1c1ccccc1
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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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-32-22(31)18-19(13-7-3-2-4-8-13)33-23(27-18)26-17(28)12-11-16-21(30)24-15-10-6-5-9-14(15)20(29)25-16/h2-10,16H,11-12H2,1H3,(H,24,30)(H,25,29)(H,26,27,28)InChIKey
WNHVGLZISJTGIO-UHFFFAOYSA-NSynonyms
1401535-64-51401535645
COC(=O)c1(nH)c(=NC(=O)CCC2NC(=O)c3c(N=C2O)cccc3)sc1c1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4
InChI=1SC23H20N4O5Sc13222(31)1819(137324813)3323(2718)2617(28)12111621(30)24151065914(15)20(29)2516h21016H1112H21H3(H2430)(H2529)(H262728)
methyl(2Z)2((3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2(3(25dioxo34dihydro1H14benzodiazepin3yl)propanoylamino)5phenyl13thiazole4carboxylate
MFCD28028222
ZINC000079489769
ZINC000079489778
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