Vitas-M small molecule compound
8,8-dimethyl-2-thioxo-5-(3,4,5-trimethoxyphenyl)-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Catalog ID
STK981116
SMILES COc1c(OC)cc(cc1OC)C1C2=C(Nc3c1c(=O)[nH]c(=S)[nH]3)CC(CC2=O)(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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-22(2)8-11-16(12(26)9-22)15(17-19(23-11)24-21(31)25-20(17)27)10-6-13(28-3)18(30-5)14(7-10)29-4/h6-7,15H,8-9H2,1-5H3,(H3,23,24,25,27,31)InChIKey
WXILBAYRUZTJSO-UHFFFAOYSA-NSynonyms
326179-18-4326179184
88dimethyl2sulfanylidene5(345trimethoxyphenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
88dimethyl2thioxo5(345trimethoxyphenyl)2358910hexahydropyrimido(45b)quinoline46(1H7H)dione
CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
COc1c(OC)cc(cc1OC)C1C2=C(Nc3c1c(=O)(nH)c(=S)(nH)3)CC(CC2=O)(C)C
InChI=1SC22H25N3O5Sc122(2)81116(12(26)922)15(1719(2311)2421(31)2520(17)27)10613(283)18(305)14(710)294h6715H89H215H3(H32324252731)
MFCD02701613
ZINC000016286530
ZINC000018024481
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