Vitas-M small molecule compound
methyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-4H-pyran-3-carboxylate
Catalog ID
STK961069
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(o1)COc1cccc(c1)C(F)(F)F)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 C21H17F3N2O5 MW 434.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O5/c1-11-17(20(27)28-2)18(15(9-25)19(26)30-11)16-7-6-14(31-16)10-29-13-5-3-4-12(8-13)21(22,23)24/h3-8,18H,10,26H2,1-2H3InChIKey
ORWLIESLWNDSCG-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(O2)COC3=CC=CC(=C3)C(F)(F)F)C(=O)OC
InChI=1SC21H17F3N2O5c11117(20(27)282)18(15(925)19(26)3011)167614(3116)10291353412(813)21(2223)24h3818H1026H212H3
methyl6amino5cyano2methyl4(5((3(trifluoromethyl)phenoxy)methyl)furan2yl)4Hpyran3carboxylate
MFCD02243832
ZINC000002769735
ZINC000002769736
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