Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL297146
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCCCc1s2
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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 C25H23BrN2O2S2 MW 527.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O2S2/c1-2-30-19-13-11-18(12-14-19)28-24(29)22-20-5-3-4-6-21(20)32-23(22)27-25(28)31-15-16-7-9-17(26)10-8-16/h7-14H,2-6,15H2,1H3InChIKey
XAGAWUGWMMCPEZ-UHFFFAOYSA-NSynonyms
613226-72-52((4bromobenzyl)sulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4bromobenzyl)thio)3(4ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((4bromophenyl)methylsulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
613226725
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC5=C3CCCC5
InChI=1SC25H23BrN2O2S2c123019131118(121419)2824(29)2220534621(20)3223(22)2725(28)3115167917(26)10816h714H2615H21H3
MFCD03474460
ZINC000002258402
ZINC2258402
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