Vitas-M small molecule compound
3-(4-chlorobenzyl)-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK438770
SMILES Clc1ccc(cc1)Cn1c(S)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 C18H17ClN2OS2 MW 376.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2OS2/c19-12-8-6-11(7-9-12)10-21-17(22)15-13-4-2-1-3-5-14(13)24-16(15)20-18(21)23/h6-9H,1-5,10H2,(H,20,23)InChIKey
VLNHJVOAXBUHPQ-UHFFFAOYSA-NSynonyms
3((4chlorophenyl)methyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
3(4chlorobenzyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl
InChI=1SC18H17ClN2OS2c19128611(7912)102117(22)15134213514(13)2416(15)2018(21)23h69H1510H2(H2023)
MFCD03945422
ZINC000017077119
ZINC17077119
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