Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK198474
SMILES Cc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc3c(c2)cccn3)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 C27H22N4O2S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O2S/c1-16-6-4-8-21(12-16)31-26(33)23(25(32)29-27(31)34)15-20-13-17(2)30(18(20)3)22-9-10-24-19(14-22)7-5-11-28-24/h4-15H,1-3H3,(H,29,32,34)/b23-15+InChIKey
BAOXLOBYGHEPOF-HZHRSRAPSA-NSynonyms
(5E)5((25DIMETHYL1(QUINOLIN6YL)1HPYRROL3YL)METHYLIDENE)1(3METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1QUINOLIN6YLPYRROL3YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((25DIMETHYL1(6QUINOLINYL)1HPYRROL3YL)METHYLENE)1(3METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC5=C(C=C4)N=CC=C5)C)C(=O)NC2=S
Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)cccn3)C)C1=O
InChI=1SC27H22N4O2Sc11664821(1216)3126(33)23(25(32)2927(31)34)15201317(2)30(18(20)3)229102419(1422)75112824h415H13H3(H293234)b2315+
MFCD02954759
ZINC000008450459
ZINC08450459
ZINC8450459
Check stock
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Check stock on Vitas-MAvailable files
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