Vitas-M small molecule compound
7-tert-butyl-3-(2-methylphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK996413
SMILES CCCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCC(C3)C(C)(C)C
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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 C26H34N2OS2 MW 454.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2OS2/c1-6-7-10-15-30-25-27-23-22(24(29)28(25)20-12-9-8-11-17(20)2)19-14-13-18(26(3,4)5)16-21(19)31-23/h8-9,11-12,18H,6-7,10,13-16H2,1-5H3InChIKey
VVMFPBJGVQIJFO-UHFFFAOYSA-NSynonyms
7tertbutyl3(2methylphenyl)2(pentylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl3(2methylphenyl)2pentylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=CC=C4C
InChI=1SC26H34N2OS2c16710153025272322(24(29)28(25)2012981117(20)2)19141318(26(34)5)1621(19)3123h89111218H67101316H215H3
MFCD02631178
ZINC000008432522
ZINC000008432523
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