Vitas-M small molecule compound
(5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188246
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)F)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 C20H17ClFN3O2S MW 417.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClFN3O2S/c1-4-7-24-19(27)15(18(26)23-20(24)28)9-13-8-11(2)25(12(13)3)14-5-6-17(22)16(21)10-14/h4-6,8-10H,1,7H2,2-3H3,(H,23,26,28)/b15-9+InChIKey
KMHYHSUMQAZRCE-OQLLNIDSSA-NSynonyms
428828-87-9(5E)5((1(3CHLORO4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(3CHLORO4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
428828879
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)F)C)C1=O
CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H17ClFN3O2Sc1472419(27)15(18(26)2320(24)28)913811(2)25(12(13)3)145617(22)16(21)1014h46810H17H223H3(H232628)b159+
MFCD02605403
ZINC000001175927
ZINC01175927
ZINC1175927
Check stock
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Check stock on Vitas-MAvailable files
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