Vitas-M small molecule compound
3-(3-{(E)-2-[3-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethenyl}-1H-indol-1-yl)propanenitrile
Catalog ID
STK531628
SMILES N#CCCn1cc(c2c1cccc2)/C=C/c1nc2ccccc2c(=O)n1c1cccc(c1)[N+](=O)[O-]
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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 C27H19N5O3 MW 461.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O3/c28-15-6-16-30-18-19(22-9-2-4-12-25(22)30)13-14-26-29-24-11-3-1-10-23(24)27(33)31(26)20-7-5-8-21(17-20)32(34)35/h1-5,7-14,17-18H,6,16H2/b14-13+InChIKey
ASQQQWHNEXRFBT-BUHFOSPRSA-NSynonyms
(E)3(3(2(3(3nitrophenyl)4oxo34dihydroquinazolin2yl)vinyl)1Hindol1yl)propanenitrile
3(3((E)2(3(3nitrophenyl)4oxo34dihydroquinazolin2yl)ethenyl)1Hindol1yl)propanenitrile
3(3((E)2(3(3NITROPHENYL)4OXOQUINAZOLIN2YL)ETHENYL)INDOL1YL)PROPANENITRILE
C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CN(C4=CC=CC=C43)CCC#N)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC27H19N5O3c2815616301819(229241225(22)30)131426292411311023(24)27(33)31(26)2075821(1720)32(34)35h157141718H616H2b1413+
MFCD02163808
N#CCCn1cc(c2c1cccc2)C=Cc1nc2ccccc2c(=O)n1c1cccc(c1)(N+)(=O)(O)
ZINC000009237153
ZINC09237153
ZINC9237153
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