Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL044648
SMILES O=C1N=C(S)N(C(=O)/C/1=C/NCCCn1ccnc1)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 C19H25N5O2S MW 387.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O2S/c25-17-16(13-20-8-4-10-23-12-9-21-14-23)18(26)24(19(27)22-17)11-7-15-5-2-1-3-6-15/h5,9,12-14,20H,1-4,6-8,10-11H2,(H,22,25,27)/b16-13+InChIKey
KGYAWRWYFSPHMI-DTQAZKPQSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((3(1Himidazol1yl)propyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1(2CYCLOHEX1ENYLETHYL)5(1(3IMIDAZOL1YLPROPYLAMINO)METH(E)YLIDENE)2THIOXODIHYDROPYRIMIDINE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S
InChI=1SC19H25N5O2Sc251716(1320841023129211423)18(26)24(19(27)2217)117155213615h59121420H14681011H2(H222527)b1613+
MFCD04072369
O=C1N=C(S)N(C(=O)C1=CNCCCn1ccnc1)CCC1=CCCCC1
ZINC000006161466
ZINC06161466
ZINC6161466
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