Vitas-M small molecule compound

(5E)-1-(prop-2-en-1-yl)-2-sulfanyl-5-[(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)methylidene]pyrimidine-4,6(1H,5H)-dione

Catalog ID
STL055013
SMILES C=CCN1C(=NC(=O)/C(=C\NC2C3CC4CC2CC(C3)C4)/C1=O)S

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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 C18H23N3O2S MW 345.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O2S/c1-2-3-21-17(23)14(16(22)20-18(21)24)9-19-15-12-5-10-4-11(7-12)8-13(15)6-10/h2,9-13,15,19H,1,3-8H2,(H,20,22,24)/b14-9+
InChIKey
PEEPSISKZNDSJF-NTEUORMPSA-N
Synonyms

(5E)1(prop2en1yl)2sulfanyl5((tricyclo(3311~37~)dec2ylamino)methylidene)pyrimidine46(1H5H)dione
(5E)5((2ADAMANTYLAMINO)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=NC(=O)C(=CNC2C3CC4CC2CC(C3)C4)C1=O)S
C=CCN1C(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)NC1=S
InChI=1SC18H23N3O2Sc1232117(23)14(16(22)2018(21)24)9191512510411(712)813(15)610h29131519H138H2(H202224)b149+
MFCD05736273
ZINC000005816995
ZINC05816995
ZINC5816995

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Available files

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