Vitas-M small molecule compound
4-(7-ethyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl 2,4-dichlorobenzoate
Catalog ID
STK384725
SMILES CCN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1Cl)Cl)O
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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 C25H23Cl2N3O4S MW 532.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Cl2N3O4S/c1-3-30-9-8-16-20(12-30)35-24-21(16)23(31)28-22(29-24)13-4-7-18(19(10-13)33-2)34-25(32)15-6-5-14(26)11-17(15)27/h4-7,10-11,22,29H,3,8-9,12H2,1-2H3,(H,28,31)InChIKey
XUUITGJTCCCAAA-UHFFFAOYSA-NSynonyms
(4(7ethyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2methoxyphenyl)24dichlorobenzoate
4(7ethyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenyl24dichlorobenzoate
CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)OC
InChI=1SC25H23Cl2N3O4Sc1330981620(1230)352421(16)23(31)2822(2924)134718(19(1013)332)3425(32)156514(26)1117(15)27h4710112229H38912H212H3(H2831)
MFCD05661571
ZINC000102100517
ZINC000102100523
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