Vitas-M small molecule compound
4-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 3-fluorobenzoate
Catalog ID
STK384745
SMILES Fc1cccc(c1)C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
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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 C29H24FN3O3S MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O3S/c30-21-8-4-7-20(15-21)29(35)36-22-11-9-19(10-12-22)26-31-27(34)25-23-13-14-33(16-18-5-2-1-3-6-18)17-24(23)37-28(25)32-26/h1-12,15,26,32H,13-14,16-17H2,(H,31,34)InChIKey
JDNJUSPVSPCNPV-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)3fluorobenzoate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl3fluorobenzoate
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)F)CC6=CC=CC=C6
InChI=1SC29H24FN3O3Sc302184720(1521)29(35)362211919(101222)263127(34)2523131433(16185213618)1724(23)3728(25)3226h112152632H13141617H2(H3134)
MFCD05661703
ZINC000015947325
ZINC000015947327
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