Vitas-M small molecule compound
8-bromo-10,10-dimethyl-10a-[(E)-2-(3-nitrophenyl)ethenyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STK570365
SMILES O=C1CCN2C(N1)(/C=C/c1cccc(c1)[N+](=O)[O-])C(C)(C)c1c2ccc(c1)Br
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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 C21H20BrN3O3 MW 442.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3/c1-20(2)17-13-15(22)6-7-18(17)24-11-9-19(26)23-21(20,24)10-8-14-4-3-5-16(12-14)25(27)28/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,26)/b10-8+InChIKey
YTIDZAJDSWRMEB-CSKARUKUSA-NSynonyms
(E)8bromo1010dimethyl10a(3nitrostyryl)341010atetrahydropyrimido(12a)indol2(1H)one
8bromo1010dimethyl10a((E)2(3nitrophenyl)ethenyl)341010atetrahydropyrimido(12a)indol2(1H)one
8bromo1010dimethyl10a((E)2(3nitrophenyl)ethenyl)34dihydro1Hpyrimido(12a)indol2one
CC1(C2=C(C=CC(=C2)Br)N3C1(NC(=O)CC3)C=CC4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC21H20BrN3O3c120(2)171315(22)6718(17)2411919(26)2321(2024)1081443516(1214)25(27)28h38101213H911H212H3(H2326)b108+
O=C1CCN2C(N1)(C=Cc1cccc(c1)(N+)(=O)(O))C(C)(C)c1c2ccc(c1)Br
ZINC000001316596
ZINC000009292284
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