Vitas-M small molecule compound

(8Z)-3-methyl-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene

Catalog ID
STK679755
SMILES ClC(=C(Cl)Cl)/C(=C\1/Nc2c1cc(cc2)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 C11H7Cl3N2O2 MW 305.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7Cl3N2O2/c1-5-2-3-7-6(4-5)9(15-7)10(16(17)18)8(12)11(13)14/h2-4,15H,1H3/b10-9-
InChIKey
KWJNNPSQWWIDEU-KTKRTIGZSA-N
Synonyms

(7Z)4METHYL7(233TRICHLORO1NITROPROP2ENYLIDENE)8AZABICYCLO(420)OCTA1(6)24TRIENE
(8Z)3methyl8(233trichloro1nitroprop2en1ylidene)7azabicyclo(420)octa135triene
4METHYL2(1NITRO23TRICHLORO2PROPENYLIDENE)BENZAZETINE
4METHYL2(233TRICHLORO1NITROPROP2ENYLIDENE)1HBENZO(C)AZETINE
CC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)(N+)(=O)(O)
ClC(=C(Cl)Cl)C(=C1Nc2c1cc(cc2)C)(N+)(=O)(O)
InChI=1SC11H7Cl3N2O2c152376(45)9(157)10(16(17)18)8(12)11(13)14h2415H1H3b109
MFCD03765957
ZINC000012462553
ZINC12462553

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Available files

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