Vitas-M small molecule compound
1-[(3,4-dichlorobenzyl)sulfanyl]-6-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK283421
SMILES Cc1ccc(cc1)n1c(=O)c2c3C(C)CCCc3sc2n2c1nnc2SCc1ccc(c(c1)Cl)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 C26H22Cl2N4OS2 MW 541.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N4OS2/c1-14-6-9-17(10-7-14)31-23(33)22-21-15(2)4-3-5-20(21)35-24(22)32-25(31)29-30-26(32)34-13-16-8-11-18(27)19(28)12-16/h6-12,15H,3-5,13H2,1-2H3InChIKey
HQKKNAKHFPTNGY-UHFFFAOYSA-NSynonyms
1((34dichlorobenzyl)sulfanyl)6methyl4(4methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((34dichlorobenzyl)thio)6methyl4(ptolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC5=CC(=C(C=C5)Cl)Cl)N(C3=O)C6=CC=C(C=C6)C
InChI=1SC26H22Cl2N4OS2c1146917(10714)3123(33)222115(2)43520(21)3524(22)3225(31)293026(32)34131681118(27)19(28)1216h61215H3513H212H3
MFCD02991608
ZINC000001800650
ZINC000001800651
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