Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[4-(dimethylammonio)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL049064
SMILES O=C1N=C([S-])N(C(=O)/C/1=C/Nc1ccc(cc1)[NH+](C)C)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-24(2)17-10-8-16(9-11-17)22-14-18-19(26)23-21(28)25(20(18)27)13-12-15-6-4-3-5-7-15/h6,8-11,14,22H,3-5,7,12-13H2,1-2H3,(H,23,26,28)/b18-14+InChIKey
PAYNRMATCDSZPY-NBVRZTHBSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((4(dimethylammonio)phenyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((4(DIMETHYLAMINO)ANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((4(DIMETHYLAZANIUMYL)ANILINO)METHYLIDENE)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
C(NH+)(C)C1=CC=C(C=C1)NC=C2C(=NC(=S)N(C2=O)CCC3=CCCCC3)(O)
InChI=1SC21H26N4O2Sc124(2)1710816(91117)22141819(26)2321(28)25(20(18)27)1312156435715h68111422H3571213H212H3(H232628)b1814+
MFCD18249243
O=C1N=C((S))N(C(=O)C1=CNc1ccc(cc1)(NH+)(C)C)CCC1=CCCCC1
ZINC000013298038
ZINC13298038
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