Vitas-M small molecule compound
(5Z)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189974
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)N(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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-6-11-25-21(28)19(20(27)23-22(25)29)13-16-12-14(2)26(15(16)3)18-9-7-17(8-10-18)24(4)5/h6-10,12-13H,1,11H2,2-5H3,(H,23,27,29)/b19-13-InChIKey
YKQMDNSBCBZABH-UYRXBGFRSA-NSynonyms
(5Z)5((1(4(DIMETHYLAMINO)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4(dimethylamino)phenyl)25dimethylpyrrol3yl)methylidene)1prop2enyl2sulfanylidene13diazinane46dione
(5Z)5((1(4DIMETHYLAMINOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)N(C)C)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC22H24N4O2Sc16112521(28)19(20(27)2322(25)29)13161214(2)26(15(16)3)189717(81018)24(4)5h6101213H111H225H3(H232729)b1913
MFCD06666485
ZINC000019877899
ZINC19877899
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