Vitas-M small molecule compound
1-(4-chlorobenzyl)-3-[(4-chlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STK556610
SMILES Clc1ccc(cc1)CSc1nn(c2n1c(=O)c1c(n2)sc2c1CCCC2)Cc1ccc(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 C25H20Cl2N4OS2 MW 527.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N4OS2/c26-17-9-5-15(6-10-17)13-30-24-28-22-21(19-3-1-2-4-20(19)34-22)23(32)31(24)25(29-30)33-14-16-7-11-18(27)12-8-16/h5-12H,1-4,13-14H2InChIKey
SIQQIVKLPQHYBU-UHFFFAOYSA-NSynonyms
577768-64-01(4chlorobenzyl)3((4chlorobenzyl)sulfanyl)6789tetrahydro(1)benzothieno(23d)(124)triazolo(43a)pyrimidin5(1H)one
1(4chlorobenzyl)3((4chlorobenzyl)thio)6789tetrahydrobenzo(45)thieno(23d)(124)triazolo(43a)pyrimidin5(1H)one
577768640
C1CCC2=C(C1)C3=C(S2)N=C4N(N=C(N4C3=O)SCC5=CC=C(C=C5)Cl)CC6=CC=C(C=C6)Cl
InChI=1SC25H20Cl2N4OS2c26179515(61017)133024282221(19312420(19)3422)23(32)31(24)25(2930)33141671118(27)12816h512H141314H2
MFCD04019208
ZINC000097953093
ZINC97953093
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