Vitas-M small molecule compound
2-(benzylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK722447
SMILES O=c1[nH]c(SCc2ccccc2)nc2c1c1CCCCCc1s2
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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 C18H18N2OS2 MW 342.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS2/c21-16-15-13-9-5-2-6-10-14(13)23-17(15)20-18(19-16)22-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,20,21)InChIKey
AOVLVNGULYFDAZ-UHFFFAOYSA-NSynonyms
351160-30-02(benzylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(benzylthio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2benzylsulfanyl356789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
351160300
C1CCC2=C(CC1)SC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4
InChI=1SC18H18N2OS2c2116151395261014(13)2317(15)2018(1916)2211127314812h13478H256911H2(H192021)
MFCD01995963
O=c1(nH)c(SCc2ccccc2)nc2c1c1CCCCCc1s2
ZINC000008739361
ZINC08739361
ZINC8739361
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