Vitas-M small molecule compound
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK845087
SMILES COc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)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 C25H22N4O2S2 MW 474.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S2/c1-31-16-12-10-15(11-13-16)29-24(30)22-17-6-2-5-9-20(17)33-23(22)28-25(29)32-14-21-26-18-7-3-4-8-19(18)27-21/h3-4,7-8,10-13H,2,5-6,9,14H2,1H3,(H,26,27)InChIKey
CNEFBPCJEONNJT-UHFFFAOYSA-NSynonyms
678554-71-72(((1Hbenzo(d)imidazol2yl)methyl)thio)3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((1Hbenzimidazol2ylmethyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(1Hbenzimidazol2ylmethylsulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
678554717
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5N4)SC6=C3CCCC6
COc1ccc(cc1)n1c(SCc2nc3c((nH)2)cccc3)nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H22N4O2S2c13116121015(111316)2924(30)2217625920(17)3323(22)2825(29)3214212618734819(18)2721h34781013H256914H21H3(H2627)
MFCD03473804
ZINC000001049829
ZINC01049829
ZINC1049829
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