Vitas-M small molecule compound
8-tert-butyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530096
SMILES Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCC(C3)C(C)(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 C24H25ClN4O2S2 MW 501.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4O2S2/c1-24(2,3)14-7-10-16-18(11-14)33-21-19(16)20(31)28(4)22-26-27-23(29(21)22)32-12-17(30)13-5-8-15(25)9-6-13/h5-6,8-9,14H,7,10-12H2,1-4H3InChIKey
CCEZZPORLCSRMD-UHFFFAOYSA-NSynonyms
8(tertbutyl)1((2(4chlorophenyl)2oxoethyl)thio)4methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8tertbutyl1((2(4chlorophenyl)2oxoethyl)sulfanyl)4methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C
InChI=1SC24H25ClN4O2S2c124(23)147101618(1114)332119(16)20(31)28(4)22262723(29(21)22)321217(30)135815(25)9613h568914H71012H214H3
MFCD02233838
ZINC000002292169
ZINC000002292170
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