Vitas-M small molecule compound
3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid
Catalog ID
STK066676
SMILES O=C(c1cc(cc(c1)C(=O)O)[N+](=O)[O-])Nc1ncccn1
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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 C12H8N4O5 MW 288.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N4O5/c17-10(15-12-13-2-1-3-14-12)7-4-8(11(18)19)6-9(5-7)16(20)21/h1-6H,(H,18,19)(H,13,14,15,17)InChIKey
CDGYXLZVIVMWQN-UHFFFAOYSA-NSynonyms
524032-46-03NITRO5(PYRIMIDIN2YLCARBAMOYL)BENZOICACID
524032460
C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)O
InChI=1SC12H8N4O5c1710(1512132131412)748(11(18)19)69(57)16(20)21h16H(H1819)(H13141517)
MFCD03614728
O=C(c1cc(cc(c1)C(=O)O)(N+)(=O)(O))Nc1ncccn1
STK066676
ZINC000002727951
ZINC2727951
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