Vitas-M small molecule compound
(5E)-5-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188240
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(C)C)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 C23H25N3O2S MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O2S/c1-6-11-25-22(28)20(21(27)24-23(25)29)13-18-12-15(4)26(16(18)5)19-9-7-17(8-10-19)14(2)3/h6-10,12-14H,1,11H2,2-5H3,(H,24,27,29)/b20-13+InChIKey
FUKDLIIPDRNNAX-DEDYPNTBSA-NSynonyms
(5E)5((25DIMETHYL1(4(PROPAN2YL)PHENYL)1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4PROPAN2YLPHENYL)PYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
1ALLYL5((1(4ISOPROPYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(C)C)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC23H25N3O2Sc16112522(28)20(21(27)2423(25)29)13181215(4)26(16(18)5)199717(81019)14(2)3h6101214H111H225H3(H242729)b2013+
MFCD03080053
ZINC000000681104
ZINC00681104
ZINC681104
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.