Vitas-M small molecule compound
5-nitro-2-{4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}benzonitrile
Catalog ID
STK084071
SMILES N#Cc1cc(ccc1Oc1ccc(cc1)C=C1C(=O)NC(=O)NC1=O)[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 C18H10N4O6 MW 378.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10N4O6/c19-9-11-8-12(22(26)27)3-6-15(11)28-13-4-1-10(2-5-13)7-14-16(23)20-18(25)21-17(14)24/h1-8H,(H2,20,21,23,24,25)InChIKey
NODDOESQCDDCAK-UHFFFAOYSA-NSynonyms
405903-20-0405903200
5NITRO2(4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)BENZONITRILE
5NITRO2(4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)BENZONITRILE
C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OC3=C(C=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC18H10N4O6c19911812(22(26)27)3615(11)28134110(2513)71416(23)2018(25)2117(14)24h18H(H22021232425)
MFCD02374432
N#Cc1cc(ccc1Oc1ccc(cc1)C=C1C(=O)NC(=O)NC1=O)(N+)(=O)(O)
STK084071
ZINC000002784314
ZINC2784314
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