Vitas-M small molecule compound
1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-3-(4-methylbenzyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL074078
SMILES CCOc1ccc(cc1Cl)C(=O)Cn1c(=O)n(Cc2ccc(cc2)C)c(=O)c2c1ccs2
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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 C24H21ClN2O4S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O4S/c1-3-31-21-9-8-17(12-18(21)25)20(28)14-26-19-10-11-32-22(19)23(29)27(24(26)30)13-16-6-4-15(2)5-7-16/h4-12H,3,13-14H2,1-2H3InChIKey
PKYNREKVONUKNX-UHFFFAOYSA-NSynonyms
1(2(3chloro4ethoxyphenyl)2oxoethyl)3((4methylphenyl)methyl)thieno(32d)pyrimidine24dione
1(2(3chloro4ethoxyphenyl)2oxoethyl)3(4methylbenzyl)thieno(32d)pyrimidine24(1H3H)dione
CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C)SC=C3)Cl
InChI=1SC24H21ClN2O4Sc1331219817(1218(21)25)20(28)14261910113222(19)23(29)27(24(26)30)13166415(2)5716h412H31314H212H3
MFCD18195479
ZINC000057486225
ZINC57486225
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