Vitas-M small molecule compound
(5E)-5-({2,5-dimethyl-1-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188242
SMILES C=CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)CC=C
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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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c1-5-11-25-22(28)20(21(27)24-23(25)30)14-17-13-15(3)26(16(17)4)18-7-9-19(10-8-18)29-12-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3,(H,24,27,30)/b20-14+InChIKey
QHXGIHBLTRCVHH-XSFVSMFZSA-NSynonyms
(5E)5((25DIMETHYL1(4(PROP2EN1YLOXY)PHENYL)1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4PROP2ENOXYPHENYL)PYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
1ALLYL5((1(4(ALLYLOXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
C=CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)CC=C
CC1=CC(=C(N1C2=CC=C(C=C2)OCC=C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC23H23N3O3Sc15112522(28)20(21(27)2423(25)30)14171315(3)26(16(17)4)187919(10818)291262h5101314H121112H234H3(H242730)b2014+
MFCD02920774
ZINC000002175500
ZINC02175500
ZINC2175500
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.