Vitas-M small molecule compound
10,10-dimethyl-10a-[(E)-2-(3-nitrophenyl)ethenyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL041587
SMILES O=C1CCN2C(N1)(/C=C/c1cccc(c1)[N+](=O)[O-])C(C)(C)c1c2cccc1
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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-20(2)17-8-3-4-9-18(17)23-13-11-19(25)22-21(20,23)12-10-15-6-5-7-16(14-15)24(26)27/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)/b12-10+InChIKey
SPOPUIPUHDFQHT-ZRDIBKRKSA-NSynonyms
(E)1010dimethyl10a(3nitrostyryl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(3nitrophenyl)ethenyl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(3nitrophenyl)ethenyl)34dihydro1Hpyrimido(12a)indol2one
CC1(C2=CC=CC=C2N3C1(NC(=O)CC3)C=CC4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC21H21N3O3c120(2)17834918(17)23131119(25)2221(2023)12101565716(1415)24(26)27h3101214H1113H212H3(H2225)b1210+
O=C1CCN2C(N1)(C=Cc1cccc(c1)(N+)(=O)(O))C(C)(C)c1c2cccc1
ZINC000005192798
ZINC000005192811
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