Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL050890
SMILES CC[NH+]1CCN(CC1)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)[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 C25H33N5O2S MW 467.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O2S/c1-2-28-14-16-29(17-15-28)21-10-8-20(9-11-21)26-18-22-23(31)27-25(33)30(24(22)32)13-12-19-6-4-3-5-7-19/h6,8-11,18,26H,2-5,7,12-17H2,1H3,(H,27,31,33)/b22-18+InChIKey
JFDPKDCHYIGWFH-RELWKKBWSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((4(4ethylpiperazin4ium1yl)phenyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
CC(NH+)1CCN(CC1)c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)(S)
MFCD18249357
ZINC000001270746
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