Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK722358
SMILES CCCCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCCCCc1s2
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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 C22H25BrN2OS2 MW 477.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2OS2/c1-2-3-13-25-21(26)19-17-7-5-4-6-8-18(17)28-20(19)24-22(25)27-14-15-9-11-16(23)12-10-15/h9-12H,2-8,13-14H2,1H3InChIKey
PSODZAORTZNHTN-UHFFFAOYSA-NSynonyms
351004-90-52((4bromobenzyl)sulfanyl)3butyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((4bromobenzyl)thio)3butyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2((4bromophenyl)methylsulfanyl)3butyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351004905
CCCCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)Br)SC4=C2CCCCC4
InChI=1SC22H25BrN2OS2c123132521(26)19177546818(17)2820(19)2422(25)27141591116(23)121015h912H281314H21H3
MFCD01950065
ZINC000002282518
ZINC02282518
ZINC2282518
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