Vitas-M small molecule compound
(5E)-5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188026
SMILES CCCCc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
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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 C27H26ClN3O2S MW 492.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S/c1-4-5-6-19-7-11-22(12-8-19)30-17(2)15-20(18(30)3)16-24-25(32)29-27(34)31(26(24)33)23-13-9-21(28)10-14-23/h7-16H,4-6H2,1-3H3,(H,29,32,34)/b24-16+InChIKey
WGNKBZCKVLWKON-LFVJCYFKSA-NSynonyms
445428-46-6(5E)5((1(4BUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4CHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4BUTYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
445428466
5((1(4BUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(4CHLOROPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)C
CCCCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
InChI=1SC27H26ClN3O2Sc14561971122(12819)3017(2)1520(18(30)3)162425(32)2927(34)31(26(24)33)2313921(28)101423h716H46H213H3(H293234)b2416+
MFCD03080069
ZINC000002053881
ZINC02053881
ZINC2053881
Check stock
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Check stock on Vitas-MAvailable files
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