Vitas-M small molecule compound
2-(3-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL367759
SMILES O=C(Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1C)C)NCc1ccco1
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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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-17-7-5-11-23(18(17)2)32-27(35)22(26(34)30-28(32)36)13-19-15-31(24-10-4-3-9-21(19)24)16-25(33)29-14-20-8-6-12-37-20/h3-13,15H,14,16H2,1-2H3,(H,29,33)(H,30,34,36)/b22-13+InChIKey
KEHSUHILJKGKRC-LPYMAVHISA-NSynonyms
2(3((E)(1(23dimethylphenyl)246trioxo13diazinan5ylidene)methyl)indol1yl)N(furan2ylmethyl)acetamide
2(3((E)(1(23dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)N(furan2ylmethyl)acetamide
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCC5=CC=CO5)C(=O)NC2=O)C
InChI=1SC28H24N4O5c117751123(18(17)2)3227(35)22(26(34)3028(32)36)13191531(241043921(19)24)1625(33)29142086123720h31315H1416H212H3(H2933)(H303436)b2213+
MFCD14709575
O=C(Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)C)NCc1ccco1
ZINC000027549101
ZINC27549101
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