Vitas-M small molecule compound
2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831017
SMILES CC(CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCCC3)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 C23H28N2OS2 MW 412.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2OS2/c1-15(2)13-14-27-23-24-21-20(18-7-5-4-6-8-19(18)28-21)22(26)25(23)17-11-9-16(3)10-12-17/h9-12,15H,4-8,13-14H2,1-3H3InChIKey
HVNKVQUZGIABNK-UHFFFAOYSA-NSynonyms
351161-46-12((3methylbutyl)sulfanyl)3(4methylphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(3methylbutylsulfanyl)3(4methylphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
2(isopentylthio)3(ptolyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
351161461
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(C)C)SC4=C3CCCCC4
InChI=1SC23H28N2OS2c115(2)13142723242120(187546819(18)2821)22(26)25(23)1711916(3)101217h91215H481314H213H3
MFCD01876361
ZINC000002271737
ZINC02271737
ZINC2271737
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