Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK626958
SMILES Clc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)C2CCCCC2)C)/C1=O)S
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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 C23H24ClN3O2S MW 441.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O2S/c1-14-12-16(15(2)26(14)18-6-4-3-5-7-18)13-20-21(28)25-23(30)27(22(20)29)19-10-8-17(24)9-11-19/h8-13,18H,3-7H2,1-2H3,(H,25,28,30)/b20-13+InChIKey
RZDATXKYECMMJE-DEDYPNTBSA-NSynonyms
340310-62-5(5E)1(4chlorophenyl)5((1cyclohexyl25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(4CHLOROPHENYL)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
340310625
Clc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)C2CCCCC2)C)C1=O)S
InChI=1SC23H24ClN3O2Sc1141216(15(2)26(14)186435718)132021(28)2523(30)27(22(20)29)1910817(24)91119h81318H37H212H3(H252830)b2013+
MFCD09797561
ZINC000013810519
ZINC13810519
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