Vitas-M small molecule compound
8-[(4-bromobenzyl)sulfanyl]-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK830292
SMILES Brc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)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 C22H20BrN3OS2 MW 486.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3OS2/c1-12-16-9-27-22(2,3)8-15(16)17-18-19(29-20(17)26-12)21(25-11-24-18)28-10-13-4-6-14(23)7-5-13/h4-7,11H,8-10H2,1-3H3InChIKey
SMXJCOSTQFSDBJ-UHFFFAOYSA-NSynonyms
836627-07-78((4bromobenzyl)sulfanyl)225trimethyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
8((4bromobenzyl)thio)225trimethyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
836627077
CC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)Br)SC3=N1)(C)C
InChI=1SC22H20BrN3OS2c1121692722(23)815(16)171819(2920(17)2612)21(25112418)2810134614(23)7513h4711H810H213H3
MFCD03688436
ZINC000009461614
ZINC09461614
ZINC9461614
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