Vitas-M small molecule compound
2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL296635
SMILES COc1ccc(cc1)n1c(N/N=C/c2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C25H23ClN4O3S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O3S/c1-25(2)12-19-20(14-33-25)34-22-21(19)23(31)30(17-8-10-18(32-3)11-9-17)24(28-22)29-27-13-15-4-6-16(26)7-5-15/h4-11,13H,12,14H2,1-3H3,(H,28,29)/b27-13+InChIKey
GFJJEVLTWNTKFU-UVHMKAGCSA-NSynonyms
(E)2(2(4chlorobenzylidene)hydrazinyl)3(4methoxyphenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2((2E)2((4chlorophenyl)methylidene)hydrazinyl)3(4methoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
2((2E)2(4chlorobenzylidene)hydrazinyl)3(4methoxyphenyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NN=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC)C
COc1ccc(cc1)n1c(NN=Cc2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
InChI=1SC25H23ClN4O3Sc125(2)121920(143325)342221(19)23(31)30(1781018(323)11917)24(2822)292713154616(26)7515h41113H1214H213H3(H2829)b2713+
MFCD01876421
ZINC000009144794
ZINC33919329
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