Vitas-M small molecule compound

(2Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-(pyridin-3-yl)prop-2-en-1-one

Catalog ID
STK876771
SMILES O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/c1nc2c(o1)cccc2)c1cccnc1

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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 C21H13N3O4 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O4/c25-20(15-6-4-10-22-13-15)17(12-14-5-3-7-16(11-14)24(26)27)21-23-18-8-1-2-9-19(18)28-21/h1-13H/b17-12+
InChIKey
GWGAULNNTVKPCA-SFQUDFHCSA-N
Synonyms
384351-65-9
(2Z)2(13benzoxazol2yl)3(3nitrophenyl)1(pyridin3yl)prop2en1one
(2Z)2BENZOXAZOL2YL3(3NITROPHENYL)1(3PYRIDYL)PROP2EN1ONE
(Z)2(13BENZOXAZOL2YL)3(3NITROPHENYL)1PYRIDIN3YLPROP2EN1ONE
(Z)2(benzo(d)oxazol2yl)3(3nitrophenyl)1(pyridin3yl)prop2en1one
384351659
C1=CC=C2C(=C1)N=C(O2)C(=CC3=CC(=CC=C3)(N+)(=O)(O))C(=O)C4=CN=CC=C4
InChI=1SC21H13N3O4c2520(156410221315)17(121453716(1114)24(26)27)212318812919(18)2821h113Hb1712+
MFCD03285265
O=C(C(=Cc1cccc(c1)(N+)(=O)(O))c1nc2c(o1)cccc2)c1cccnc1
ZINC000004865562
ZINC04865562
ZINC4865562

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Available files

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