Vitas-M small molecule compound
4-butyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL327984
SMILES CCCCn1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCC(=O)c1ccc(cc1)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 C24H25ClN4O2S2 MW 501.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4O2S2/c1-2-3-13-28-21(31)20-17-7-5-4-6-8-19(17)33-22(20)29-23(28)26-27-24(29)32-14-18(30)15-9-11-16(25)12-10-15/h9-12H,2-8,13-14H2,1H3InChIKey
PSUWOKQGNOGUIQ-UHFFFAOYSA-NSynonyms
374549-02-7374549027
4butyl1((2(4chlorophenyl)2oxoethyl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4butyl1((2(4chlorophenyl)2oxoethyl)thio)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CCCCN1C(=O)C2=C(N3C1=NN=C3SCC(=O)C4=CC=C(C=C4)Cl)SC5=C2CCCCC5
InChI=1SC24H25ClN4O2S2c123132821(31)20177546819(17)3322(20)2923(28)262724(29)321418(30)1591116(25)121015h912H281314H21H3
MFCD01956532
ZINC000013775057
ZINC13775057
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