Vitas-M small molecule compound
(5Z)-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191806
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C)I)C)c1ccccc1
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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 C24H20IN3O2S MW 541.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20IN3O2S/c1-14-11-19(9-10-21(14)25)27-15(2)12-17(16(27)3)13-20-22(29)26-24(31)28(23(20)30)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,26,29,31)/b20-13-InChIKey
LKSWHRMNHPFLMK-MOSHPQCFSA-NSynonyms
(5Z)5((1(4IODO3METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4IODO3METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4
InChI=1SC24H20IN3O2Sc1141119(91021(14)25)2715(2)1217(16(27)3)132022(29)2624(31)28(23(20)30)187546818h413H13H3(H262931)b2013
MFCD02378924
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C)I)C)c1ccccc1
ZINC000097966255
ZINC97966255
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