Vitas-M small molecule compound
2-(heptylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK722374
SMILES CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCCC3
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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 C25H32N2OS2 MW 440.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS2/c1-3-4-5-6-10-17-29-25-26-23-22(20-11-8-7-9-12-21(20)30-23)24(28)27(25)19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3InChIKey
WKLMCIKLHYAYLD-UHFFFAOYSA-NSynonyms
351161-48-32(heptylsulfanyl)3(4methylphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(heptylthio)3(ptolyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2heptylsulfanyl3(4methylphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351161483
CCCCCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)C
InChI=1SC25H32N2OS2c1345610172925262322(20118791221(20)3023)24(28)27(25)19151318(2)141619h1316H31217H212H3
MFCD01879009
ZINC000002274702
ZINC2274702
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