Vitas-M small molecule compound
3-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK305499
SMILES Fc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nc2c(c1=O)c1CCCCCc1s2)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 C23H23FN4OS2 MW 454.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN4OS2/c1-13-20(14(2)27(26-13)12-15-8-10-16(24)11-9-15)28-22(29)19-17-6-4-3-5-7-18(17)31-21(19)25-23(28)30/h8-11H,3-7,12H2,1-2H3,(H,25,30)InChIKey
AITXTYSQJPZZSI-UHFFFAOYSA-NSynonyms
590350-82-63(1((4fluorophenyl)methyl)35dimethylpyrazol4yl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
3(1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
590350826
CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)N3C(=O)C4=C(NC3=S)SC5=C4CCCCC5
InChI=1SC23H23FN4OS2c11320(14(2)27(2613)121581016(24)11915)2822(29)19176435718(17)3121(19)2523(28)30h811H3712H212H3(H2530)
MFCD03945451
ZINC000002786464
ZINC02786464
ZINC2786464
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