Vitas-M small molecule compound
10,10-dimethyl-10a-[(E)-2-(4-nitrophenyl)ethenyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STK526041
SMILES O=C1CCN2C(N1)(/C=C/c1ccc(cc1)[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)17-5-3-4-6-18(17)23-14-12-19(25)22-21(20,23)13-11-15-7-9-16(10-8-15)24(26)27/h3-11,13H,12,14H2,1-2H3,(H,22,25)/b13-11+InChIKey
LUAUTPCBCXZGDT-ACCUITESSA-NSynonyms
259820-55-8(E)1010dimethyl10a(4nitrostyryl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(4nitrophenyl)ethenyl)341010atetrahydropyrimido(12a)indol2(1H)one
1010dimethyl10a((E)2(4nitrophenyl)ethenyl)34dihydro1Hpyrimido(12a)indol2one
259820558
CC1(C2=CC=CC=C2N3C1(NC(=O)CC3)C=CC4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC21H21N3O3c120(2)17534618(17)23141219(25)2221(2023)1311157916(10815)24(26)27h31113H1214H212H3(H2225)b1311+
MFCD01089666
O=C1CCN2C(N1)(C=Cc1ccc(cc1)(N+)(=O)(O))C(C)(C)c1c2cccc1
ZINC000002289158
ZINC000004733326
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