Vitas-M small molecule compound
(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(2-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195548
SMILES CCc1ccccc1N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)CC)C)/C1=O
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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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-5-15-9-7-8-10-18(15)24-20(26)17(19(25)22-21(24)27)12-16-11-13(3)23(6-2)14(16)4/h7-12H,5-6H2,1-4H3,(H,22,25,27)/b17-12+InChIKey
JBDHIEGRCBQLIF-SFQUDFHCSA-NSynonyms
(5E)5((1ETHYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1ETHYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)CC)C)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2cc(n(c2C)CC)C)C1=O
InChI=1SC21H23N3O2Sc15159781018(15)2420(26)17(19(25)2221(24)27)12161113(3)23(62)14(16)4h712H56H214H3(H222527)b1712+
MFCD03720512
ZINC000001126931
ZINC01126931
ZINC1126931
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