Vitas-M small molecule compound
2-[6-amino-3-(4-butoxyphenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-bromophenyl morpholine-4-carboxylate
Catalog ID
STK677537
SMILES CCCCOc1ccc(cc1)c1n[nH]c2c1C(C(=C(O2)N)C#N)c1cc(Br)ccc1OC(=O)N1CCOCC1
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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 C28H28BrN5O5 MW 594.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN5O5/c1-2-3-12-37-19-7-4-17(5-8-19)25-24-23(21(16-30)26(31)39-27(24)33-32-25)20-15-18(29)6-9-22(20)38-28(35)34-10-13-36-14-11-34/h4-9,15,23H,2-3,10-14,31H2,1H3,(H,32,33)InChIKey
DBKJJIGZGGCDAV-UHFFFAOYSA-NSynonyms
(2(6AMINO3(4BUTOXYPHENYL)5CYANO24DIHYDROPYRANO(23C)PYRAZOL4YL)4BROMOPHENYL)MORPHOLINE4CARBOXYLATE
2(6amino3(4butoxyphenyl)5cyano14dihydropyrano(23c)pyrazol4yl)4bromophenylmorpholine4carboxylate
CCCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OC(=O)N5CCOCC5
CCCCOc1ccc(cc1)c1n(nH)c2c1C(C(=C(O2)N)C#N)c1cc(Br)ccc1OC(=O)N1CCOCC1
InChI=1SC28H28BrN5O5c1231237197417(5819)252423(21(1630)26(31)3927(24)333225)201518(29)6922(20)3828(35)34101336141134h491523H23101431H21H3(H3233)
MFCD03035564
ZINC000002191712
ZINC000002191713
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