Vitas-M small molecule compound

ethyl [(2Z)-2-{[(4-methyl-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
STK935767
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)C23CCC(=O)N3c3c(C(=O)N2C)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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-3-29-16(26)10-12-11-30-19(21-12)22-18(28)20-9-8-15(25)24(20)14-7-5-4-6-13(14)17(27)23(20)2/h4-7,11H,3,8-10H2,1-2H3,(H,21,22,28)
InChIKey
PITWUNDKHFOUMQ-UHFFFAOYSA-N
Synonyms
1246041-22-4
1246041224
CCOC(=O)CC1=CSC(=N1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4C(=O)N3C
CCOC(=O)Cc1csc(=NC(=O)C23CCC(=O)N3c3c(C(=O)N2C)cccc3)(nH)1
ethyl((2Z)2(((4methyl15dioxo2345tetrahydropyrrolo(12a)quinazolin3a(1H)yl)carbonyl)imino)23dihydro13thiazol4yl)acetate(nonpreferredname)
ethyl2(2((4methyl15dioxo23dihydropyrrolo(12a)quinazoline3acarbonyl)amino)13thiazol4yl)acetate
InChI=1SC20H20N4O5Sc132916(26)1012113019(2112)2218(28)209815(25)24(20)14754613(14)17(27)23(20)2h4711H3810H212H3(H212228)
MFCD18178151
ZINC000040287454
ZINC000040287455

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.