Vitas-M small molecule compound
10a-[(E)-2-(3-bromophenyl)ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL528680
SMILES O=C1CCN2C(N1)(/C=C/c1cccc(c1)Br)C(C)(C)c1c2ccc(c1)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 C22H23BrN2O MW 411.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O/c1-15-7-8-19-18(13-15)21(2,3)22(24-20(26)10-12-25(19)22)11-9-16-5-4-6-17(23)14-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,24,26)/b11-9+InChIKey
PTPVBKZWRVAAOO-PKNBQFBNSA-NSynonyms
(E)10a(3bromostyryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10~(a)((~(E))2(3bromophenyl)ethenyl)81010trimethyl34dihydro1~(H)pyrimido(12a)indol2one
10a((E)2(3bromophenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
5909017
InChI=1SC22H23BrN2Oc115781918(1315)21(23)22(2420(26)101225(19)22)1191654617(23)1416h49111314H1012H213H3(H2426)b119+
MFCD02066621
O=C1CCN2C(N1)(C=Cc1cccc(c1)Br)C(C)(C)c1c2ccc(c1)C
ZINC000002127759
ZINC000004000116
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