Vitas-M small molecule compound
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK956054
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)COc1ccc(cc1C)Cl)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 C25H25ClN2O3S MW 469.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O3S/c1-13-7-16(26)5-6-19(13)30-12-15-8-21(32-14(15)2)22-17(11-27)24(28)31-20-10-25(3,4)9-18(29)23(20)22/h5-8,22H,9-10,12,28H2,1-4H3InChIKey
UUMMXCYSZVFJNO-UHFFFAOYSA-NSynonyms
438216-83-22amino4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((4CHLORO2METHYLPHENOXY)METHYL)5METHYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438216832
CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C
InChI=1SC25H25ClN2O3Sc113716(26)5619(13)301215821(3214(15)2)2217(1127)24(28)31201025(34)918(29)23(20)22h5822H9101228H214H3
MFCD03074213
ZINC000000650688
ZINC000000650689
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