Vitas-M small molecule compound

2-(benzylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine

Catalog ID
STK829923
SMILES Nc1nc(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 C18H19N3S2 MW 341.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3S2/c19-16-15-13-9-5-2-6-10-14(13)23-17(15)21-18(20-16)22-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,19,20,21)
InChIKey
BXZDHKDNEVEAFN-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)6789tetrahydro5Hcyclohepta(45)thieno(23d)pyrimidin4amine
2(benzylthio)6789tetrahydro5Hcyclohepta(45)thieno(23d)pyrimidin4amine
2benzylsulfanyl6789tetrahydro5Hcyclohepta(45)thieno(12c)pyrimidin4amine
C1CCC2=C(CC1)SC3=NC(=NC(=C23)N)SCC4=CC=CC=C4
InChI=1SC18H19N3S2c1916151395261014(13)2317(15)2118(2016)2211127314812h13478H256911H2(H2192021)
MFCD01957682
ZINC000000503724
ZINC00503724
ZINC503724

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.