Vitas-M small molecule compound
2-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK073095
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C
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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 C25H23ClN2O3S MW 466.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O3S/c1-14-3-9-18-21(11-14)32-25-22(18)24(29)27-23(28-25)16-6-10-19(20(12-16)30-2)31-13-15-4-7-17(26)8-5-15/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,27,28,29)InChIKey
MYWYUBYZDGKFSU-UHFFFAOYSA-NSynonyms
2(4((4chlorobenzyl)oxy)3methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4((4chlorophenyl)methoxy)3methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC
COc1cc(ccc1OCc1ccc(cc1)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C
InChI=1SC25H23ClN2O3Sc114391821(1114)322522(18)24(29)2723(2825)1661019(20(1216)302)3113154717(26)8515h48101214H391113H212H3(H272829)
MFCD05977344
STK073095
ZINC000009659453
ZINC000013898946
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