Vitas-M small molecule compound
4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK784951
SMILES N#CC1=C(OC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1F)C(=O)CC(C2)(C)C)n1cccc1
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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 C30H27FN2O4 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN2O4/c1-30(2)15-23(34)28-26(16-30)37-29(33-12-6-7-13-33)21(17-32)27(28)19-10-11-24(25(14-19)35-3)36-18-20-8-4-5-9-22(20)31/h4-14,27H,15-16,18H2,1-3H3InChIKey
GIUIYPDPNDIMPH-UHFFFAOYSA-NSynonyms
4(4((2fluorobenzyl)oxy)3methoxyphenyl)77dimethyl5oxo2(1Hpyrrol1yl)5678tetrahydro4Hchromene3carbonitrile
4(4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5F)OC)C(=O)C1)C
InChI=1SC30H27FN2O4c130(2)1523(34)2826(1630)3729(3312671333)21(1732)27(28)19101124(25(1419)353)361820845922(20)31h41427H151618H213H3
MFCD07657383
ZINC000012402368
ZINC000012402369
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