Vitas-M small molecule compound
4-(7-benzyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl (2E)-3-(furan-2-yl)prop-2-enoate
Catalog ID
STK381891
SMILES O=C(Oc1ccc(cc1)C1NC(=O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1)/C=C/c1ccco1
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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 C29H25N3O4S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S/c33-25(13-12-21-7-4-16-35-21)36-22-10-8-20(9-11-22)27-30-28(34)26-23-14-15-32(17-19-5-2-1-3-6-19)18-24(23)37-29(26)31-27/h1-13,16,27,31H,14-15,17-18H2,(H,30,34)/b13-12+InChIKey
NUSSGPBOBKKPPB-OUKQBFOZSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)(E)3(furan2yl)prop2enoate
4(7benzyl4oxo12345678octahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl(2E)3(furan2yl)prop2enoate
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC=C(C=C4)OC(=O)C=CC5=CC=CO5)CC6=CC=CC=C6
InChI=1SC29H25N3O4Sc3325(13122174163521)362210820(91122)273028(34)2623141532(17195213619)1824(23)3729(26)3127h113162731H14151718H2(H3034)b1312+
MFCD02604447
O=C(Oc1ccc(cc1)C1NC(=O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1)C=Cc1ccco1
ZINC000008722171
ZINC000008722172
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