Vitas-M small molecule compound

2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STK754104
SMILES N#CC1=C(N)OC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CC(C2)(C)C

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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 C18H16ClN3O4 MW 373.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O4/c1-18(2)6-13(23)16-14(7-18)26-17(21)11(8-20)15(16)10-5-9(22(24)25)3-4-12(10)19/h3-5,15H,6-7,21H2,1-2H3
InChIKey
TZLPCXJHSZSNTD-UHFFFAOYSA-N
Synonyms
313379-94-1
2AMINO4(2CHLORO5NITROPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(2chloro5nitrophenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(2CHLORO5NITROPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
313379941
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)C1)C
InChI=1SC18H16ClN3O4c118(2)613(23)1614(718)2617(21)11(820)15(16)1059(22(24)25)3412(10)19h3515H6721H212H3
MFCD00825131
N#CC1=C(N)OC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000002603426
ZINC000002603427

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Available files

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