Vitas-M small molecule compound
6-amino-4-(2-chlorophenyl)-2-(4-fluorophenyl)-3-nitro-3,4-dihydro-2H-thiopyran-5-carbonitrile
Catalog ID
STK779074
SMILES N#CC1=C(N)SC(C(C1c1ccccc1Cl)[N+](=O)[O-])c1ccc(cc1)F
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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 C18H13ClFN3O2S MW 389.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN3O2S/c19-14-4-2-1-3-12(14)15-13(9-21)18(22)26-17(16(15)23(24)25)10-5-7-11(20)8-6-10/h1-8,15-17H,22H2InChIKey
ANSUFBDAESBCFC-UHFFFAOYSA-NSynonyms
6amino4(2chlorophenyl)2(4fluorophenyl)3nitro34dihydro2Hthiopyran5carbonitrile
C1=CC=C(C(=C1)C2C(C(SC(=C2C#N)N)C3=CC=C(C=C3)F)(N+)(=O)(O))Cl
InChI=1SC18H13ClFN3O2Sc1914421312(14)1513(921)18(22)2617(16(15)23(24)25)105711(20)8610h181517H22H2
MFCD05857958
N#CC1=C(N)SC(C(C1c1ccccc1Cl)(N+)(=O)(O))c1ccc(cc1)F
ZINC000014943531
ZINC000014943537
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