Vitas-M small molecule compound
2-amino-4-{4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK955842
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)COc1ccc(cc1)F)C)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 C24H23FN2O3S MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN2O3S/c1-13-14(12-29-16-6-4-15(25)5-7-16)8-20(31-13)21-17(11-26)23(27)30-19-10-24(2,3)9-18(28)22(19)21/h4-8,21H,9-10,12,27H2,1-3H3InChIKey
SSVCSJSMKHIZLJ-UHFFFAOYSA-NSynonyms
2amino4(4((4fluorophenoxy)methyl)5methylthiophen2yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((4FLUOROPHENOXY)METHYL)5METHYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)F
InChI=1SC24H23FN2O3Sc11314(1229166415(25)5716)820(3113)2117(1126)23(27)30191024(23)918(28)22(19)21h4821H9101227H213H3
MFCD03073829
ZINC000000789003
ZINC000000789005
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