Vitas-M small molecule compound
ethyl (2Z)-2-{[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)acetyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL538388
SMILES CCOC(=O)c1s/c(=N\C(=O)CN2C(=O)C3CCCN3C(=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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-3-30-20(29)17-12(2)22-21(31-17)23-16(26)11-25-14-8-5-4-7-13(14)18(27)24-10-6-9-15(24)19(25)28/h4-5,7-8,15H,3,6,9-11H2,1-2H3,(H,22,23,26)InChIKey
OZZRMCNEIYOHLR-UHFFFAOYSA-NSynonyms
71963611
ethyl(2Z)2(((511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)acetyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2(611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)acetyl)amino)4methyl13thiazole5carboxylate
InChI=1SC21H22N4O5Sc133020(29)1712(2)2221(3117)2316(26)112514854713(14)18(27)24106915(24)19(25)28h457815H36911H212H3(H222326)
MFCD31754567
ZINC000072325457
ZINC000097531496
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