Vitas-M small molecule compound
2-amino-3-cyano-4-(2-fluorophenyl)-4H-chromen-7-yl 4-butoxybenzoate
Catalog ID
STK912977
SMILES CCCCOc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(=C(C2c1ccccc1F)C#N)N
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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 C27H23FN2O4 MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN2O4/c1-2-3-14-32-18-10-8-17(9-11-18)27(31)33-19-12-13-21-24(15-19)34-26(30)22(16-29)25(21)20-6-4-5-7-23(20)28/h4-13,15,25H,2-3,14,30H2,1H3InChIKey
KYXUHBVWIZMTMU-UHFFFAOYSA-NSynonyms
(2amino3cyano4(2fluorophenyl)4Hchromen7yl)4butoxybenzoate
2amino3cyano4(2fluorophenyl)4Hchromen7yl4butoxybenzoate
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC=CC=C4F
InChI=1SC27H23FN2O4c12314321810817(91118)27(31)331912132124(1519)3426(30)22(1629)25(21)20645723(20)28h4131525H231430H21H3
MFCD07427935
ZINC000008917422
ZINC000008917423
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