Vitas-M small molecule compound
2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK956114
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)COc1ccc(cc1)Br)CC)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 C25H25BrN2O3S MW 513.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O3S/c1-4-20-14(13-30-16-7-5-15(26)6-8-16)9-21(32-20)22-17(12-27)24(28)31-19-11-25(2,3)10-18(29)23(19)22/h5-9,22H,4,10-11,13,28H2,1-3H3InChIKey
YVGXNQPRIAYCIK-UHFFFAOYSA-NSynonyms
438222-29-82amino4(4((4bromophenoxy)methyl)5ethylthiophen2yl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((4BROMOPHENOXY)METHYL)5ETHYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438222298
CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Br
InChI=1SC25H25BrN2O3Sc142014(1330167515(26)6816)921(3220)2217(1227)24(28)31191125(23)1018(29)23(19)22h5922H410111328H213H3
MFCD03074596
ZINC000000650886
ZINC000000650888
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