Vitas-M small molecule compound
pentyl {[7-tert-butyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK996261
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)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 C28H36N2O4S2 MW 528.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4S2/c1-6-7-8-15-34-23(31)17-35-27-29-25-24(21-14-9-18(28(2,3)4)16-22(21)36-25)26(32)30(27)19-10-12-20(33-5)13-11-19/h10-13,18H,6-9,14-17H2,1-5H3InChIKey
LBODCZXGPISSBU-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC28H36N2O4S2c1678153423(31)173527292524(2114918(28(23)4)1622(21)3625)26(32)30(27)19101220(335)131119h101318H691417H215H3
MFCD02631095
pentyl((7tertbutyl3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((7tertbutyl3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000008432073
ZINC000008432076
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