Vitas-M small molecule compound
2-[(E)-2-(1-hexyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL354760
SMILES CCCCCCn1cc(c2c1cccc2)/C=C/c1nc(O)c(c(=O)[nH]1)[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 C20H22N4O4 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4/c1-2-3-4-7-12-23-13-14(15-8-5-6-9-16(15)23)10-11-17-21-19(25)18(24(27)28)20(26)22-17/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,21,22,25,26)/b11-10+InChIKey
JOPYPNLZIRTUFU-ZHACJKMWSA-NSynonyms
2((E)2(1hexyl1Hindol3yl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(1HEXYLINDOL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CCCCCCN1C=C(C2=CC=CC=C21)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
CCCCCCn1cc(c2c1cccc2)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H22N4O4c1234712231314(15856916(15)23)1011172119(25)18(24(27)28)20(26)2217h5681113H24712H21H3(H221222526)b1110+
MFCD06760497
ZINC000009235317
ZINC9235317
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