Vitas-M small molecule compound
pentyl [(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK831018
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C25H30N2O3S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S2/c1-2-3-10-15-30-21(28)17-31-25-26-23-22(19-13-8-5-9-14-20(19)32-23)24(29)27(25)16-18-11-6-4-7-12-18/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3InChIKey
GPOPUUBDGKXDDR-UHFFFAOYSA-NSynonyms
351161-50-7351161507
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC25H30N2O3S2c12310153021(28)173125262322(19138591420(19)3223)24(29)27(25)1618116471218h4671112H2358101317H21H3
MFCD01878649
pentyl((3benzyl4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3benzyl4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((3benzyl4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ZINC000008432268
ZINC08432268
ZINC8432268
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