Vitas-M small molecule compound
methyl (2E)-2-{[4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanoyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL308788
SMILES COC(=O)c1[nH]/c(=N\C(=O)CCCN2C(=O)c3c(C2=O)nccc3)/sc1CC(C)C
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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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-11(2)10-13-16(19(28)29-3)23-20(30-13)22-14(25)7-5-9-24-17(26)12-6-4-8-21-15(12)18(24)27/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,22,23,25)InChIKey
KOJVAJYAPDTSSE-UHFFFAOYSA-NSynonyms
1401587-10-71401587107
CC(C)CC1=C(N=C(S1)NC(=O)CCCN2C(=O)C3=C(C2=O)N=CC=C3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CCCN2C(=O)c3c(C2=O)nccc3)sc1CC(C)C
InChI=1SC20H22N4O5Sc111(2)101316(19(28)293)2320(3013)2214(25)7592417(26)126482115(12)18(24)27h46811H57910H213H3(H222325)
methyl(2E)2((4(57dioxo57dihydro6Hpyrrolo(34b)pyridin6yl)butanoyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2(4(57dioxopyrrolo(34b)pyridin6yl)butanoylamino)5(2methylpropyl)13thiazole4carboxylate
MFCD28028563
ZINC000079493052
ZINC79493052
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