Vitas-M small molecule compound
2-ethoxy-4-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-fluorobenzoate
Catalog ID
STK384615
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N=C(O)c2c(N1)sc1c2CCN(C1)CC
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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 C26H26FN3O4S MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O4S/c1-3-30-12-11-18-21(14-30)35-25-22(18)24(31)28-23(29-25)16-7-10-19(20(13-16)33-4-2)34-26(32)15-5-8-17(27)9-6-15/h5-10,13,23,29H,3-4,11-12,14H2,1-2H3,(H,28,31)InChIKey
VVKXYCTZWMEDLW-UHFFFAOYSA-NSynonyms
(2ethoxy4(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4fluorobenzoate
2ethoxy4(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4fluorobenzoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)F)OCC
InChI=1SC26H26FN3O4Sc133012111821(1430)352522(18)24(31)2823(2925)1671019(20(1316)3342)3426(32)155817(27)9615h510132329H34111214H212H3(H2831)
MFCD04966726
ZINC000015947155
ZINC000015947157
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