Vitas-M small molecule compound
pentyl [(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK698864
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C28H36N2O3S2 MW 512.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O3S2/c1-5-6-10-15-33-23(31)18-34-27-29-25-24(26(32)30(27)17-19-11-8-7-9-12-19)21-14-13-20(28(2,3)4)16-22(21)35-25/h7-9,11-12,20H,5-6,10,13-18H2,1-4H3InChIKey
WFKOSSNPXXAOPP-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC4=CC=CC=C4
InChI=1SC28H36N2O3S2c15610153323(31)183427292524(26(32)30(27)1719118791219)21141320(28(23)4)1622(21)3525h79111220H56101318H214H3
MFCD01897879
pentyl((3benzyl7tertbutyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((3benzyl7(tertbutyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((3benzyl7tertbutyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000002183469
ZINC000002183470
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