Vitas-M small molecule compound
4-chlorobut-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK177421
SMILES ClCC#CCOC(=O)c1ccc(cc1)[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 C11H8ClNO4 MW 253.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8ClNO4/c12-7-1-2-8-17-11(14)9-3-5-10(6-4-9)13(15)16/h3-6H,7-8H2InChIKey
MZPXFYZLZQQVRD-UHFFFAOYSA-NSynonyms
61273-13-04CHLOROBUT2YN1YL4NITROBENZOATE
4CHLOROBUT2YNYL4NITROBENZOATE
61273130
C1=CC(=CC=C1C(=O)OCC#CCCl)(N+)(=O)(O)
ClCC#CCOC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC11H8ClNO4c1271281711(14)93510(649)13(15)16h36H78H2
MFCD01218657
ZINC000002335855
ZINC02335855
ZINC2335855
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