Vitas-M small molecule compound
10,10-dimethyl-10a-{(E)-2-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]ethenyl}-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL348468
SMILES Cc1ccc(cc1)c1nn(c(c1)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1)c1ccccc1
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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 C31H30N4O MW 474.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O/c1-22-13-15-23(16-14-22)27-21-25(35(33-27)24-9-5-4-6-10-24)17-19-31-30(2,3)26-11-7-8-12-28(26)34(31)20-18-29(36)32-31/h4-17,19,21H,18,20H2,1-3H3,(H,32,36)/b19-17+InChIKey
XDXQETGBGGNDAQ-HTXNQAPBSA-NSynonyms
(E)1010dimethyl10a(2(1phenyl3(ptolyl)1Hpyrazol5yl)vinyl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(3(4methylphenyl)1phenyl1Hpyrazol5yl)ethenyl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(5(4methylphenyl)2phenylpyrazol3yl)ethenyl)34dihydro1Hpyrimido(12a)indol2one
CC1=CC=C(C=C1)C2=NN(C(=C2)C=CC34C(C5=CC=CC=C5N3CCC(=O)N4)(C)C)C6=CC=CC=C6
Cc1ccc(cc1)c1nn(c(c1)C=CC12NC(=O)CCN1c1c(C2(C)C)cccc1)c1ccccc1
InChI=1SC31H30N4Oc122131523(161422)272125(35(3327)2495461024)17193130(23)2611781228(26)34(31)201829(36)3231h4171921H1820H213H3(H3236)b1917+
MFCD05687846
ZINC000009014108
ZINC000009014109
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