Vitas-M small molecule compound
3-[1-(2,6-dichlorobenzyl)-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
STK438578
SMILES Clc1cccc(c1Cn1ncc(c1)n1c(S)nc2c(c1=O)c1CCCCCc1s2)Cl
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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 C21H18Cl2N4OS2 MW 477.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4OS2/c22-15-6-4-7-16(23)14(15)11-26-10-12(9-24-26)27-20(28)18-13-5-2-1-3-8-17(13)30-19(18)25-21(27)29/h4,6-7,9-10H,1-3,5,8,11H2,(H,25,29)InChIKey
DBEQLQCOUDRKNR-UHFFFAOYSA-NSynonyms
3(1((26dichlorophenyl)methyl)pyrazol4yl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
3(1(26dichlorobenzyl)1Hpyrazol4yl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)C4=CN(N=C4)CC5=C(C=CC=C5Cl)Cl
InChI=1SC21H18Cl2N4OS2c221564716(23)14(15)11261012(92426)2720(28)18135213817(13)3019(18)2521(27)29h467910H135811H2(H2529)
MFCD03945459
ZINC000020429035
ZINC20429035
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