Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831024
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CCCCCc1s2
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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 C26H24N2O3S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O3S2/c1-31-19-14-12-18(13-15-19)28-25(30)23-20-10-6-3-7-11-22(20)33-24(23)27-26(28)32-16-21(29)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3InChIKey
XDJCJPHOQFBUCF-UHFFFAOYSA-NSynonyms
351162-58-83(4methoxyphenyl)2((2oxo2phenylethyl)sulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(4methoxyphenyl)2((2oxo2phenylethyl)thio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3(4methoxyphenyl)2phenacylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351162588
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)SC5=C3CCCCC5
InChI=1SC26H24N2O3S2c13119141218(131519)2825(30)2320106371122(20)3324(23)2726(28)321621(29)178425917h245891215H367101116H21H3
MFCD01943704
ZINC000002277350
ZINC02277350
ZINC2277350
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