Vitas-M small molecule compound
ethyl [(2Z)-2-{[(4-ethyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazolin-3a(1H)-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate (non-preferred name)
Catalog ID
STK937415
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)C23CCC(=O)N3c3c(C(=O)N2CC)cccc3)/[nH]1
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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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-3-24-18(28)14-7-5-6-8-15(14)25-16(26)9-10-21(24,25)19(29)23-20-22-13(12-31-20)11-17(27)30-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,22,23,29)InChIKey
IDNPKGLRRAUUEQ-UHFFFAOYSA-NSynonyms
1236263-05-01236263050
CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)NC4=NC(=CS4)CC(=O)OCC
CCOC(=O)Cc1csc(=NC(=O)C23CCC(=O)N3c3c(C(=O)N2CC)cccc3)(nH)1
ethyl((2Z)2(((4ethyl15dioxo2345tetrahydropyrrolo(12a)quinazolin3a(1H)yl)carbonyl)imino)23dihydro13thiazol4yl)acetate(nonpreferredname)
ethyl2(2((4ethyl15dioxo23dihydropyrrolo(12a)quinazoline3acarbonyl)amino)13thiazol4yl)acetate
InChI=1SC21H22N4O5Sc132418(28)14756815(14)2516(26)91021(2425)19(29)23202213(123120)1117(27)3042h5812H34911H212H3(H222329)
MFCD18178676
ZINC000040283861
ZINC000040283863
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