Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-5-({[2-(piperazin-1-ium-1-yl)ethyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL048470
SMILES O=C1N=C([S-])N(C(=O)/C/1=C/NCC[NH+]1CCNCC1)CCC1=CCCCC1
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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 C19H29N5O2S MW 391.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N5O2S/c25-17-16(14-21-9-13-23-11-7-20-8-12-23)18(26)24(19(27)22-17)10-6-15-4-2-1-3-5-15/h4,14,20-21H,1-3,5-13H2,(H,22,25,27)/b16-14+InChIKey
XULDDNPPRYIACO-JQIJEIRASA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)46dioxo5(((2(piperazin1ium1yl)ethyl)amino)methylidene)1456tetrahydropyrimidine2thiolate
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((2PIPERAZIN1YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(2(CYCLOHEXEN1YL)ETHYL)6OXO5((2PIPERAZIN1IUM1YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENEPYRIMIDIN4OLATE
C1CCC(=CC1)CCN2C(=O)C(=CNCC(NH+)3CCNCC3)C(=NC2=S)(O)
InChI=1SC19H29N5O2Sc251716(1421913231172081223)18(26)24(19(27)2217)106154213515h4142021H13513H2(H222527)b1614+
MFCD18249200
O=C1N=C((S))N(C(=O)C1=CNCC(NH+)1CCNCC1)CCC1=CCCCC1
ZINC000020267589
ZINC20267589
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