Vitas-M small molecule compound
1-chloro-3-methoxy-5-[(E)-2-nitroethenyl]-2-(prop-2-yn-1-yloxy)benzene
Catalog ID
STL375789
SMILES C#CCOc1c(Cl)cc(cc1OC)/C=C/[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 C12H10ClNO4 MW 267.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClNO4/c1-3-6-18-12-10(13)7-9(4-5-14(15)16)8-11(12)17-2/h1,4-5,7-8H,6H2,2H3/b5-4+InChIKey
YHIRZMJOSHEDHC-SNAWJCMRSA-NSynonyms
1chloro3methoxy5((E)2nitroethenyl)2(prop2yn1yloxy)benzene
1CHLORO3METHOXY5((E)2NITROETHENYL)2PROP2YNOXYBENZENE
C#CCOc1c(Cl)cc(cc1OC)C=C(N+)(=O)(O)
COC1=C(C(=CC(=C1)C=C(N+)(=O)(O))Cl)OCC#C
InChI=1SC12H10ClNO4c136181210(13)79(4514(15)16)811(12)172h14578H6H22H3b54+
MFCD03716888
ZINC000002821725
ZINC02821725
ZINC2821725
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