Vitas-M small molecule compound

(5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK189984
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccccc2)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 C23H18FN3O2S MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O2S/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/h3-13H,1-2H3,(H,25,28,30)/b20-13+
InChIKey
XWLCVNNIXPMFGJ-DEDYPNTBSA-N
Synonyms
292640-35-8
(5E)5((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5((25dimethyl1phenyl1Hpyrrol3yl)methylene)1(4fluorophenyl)2thioxodihydropyrimidine46(1H5H)dione
292640358
CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2)C)C1=O
InChI=1SC23H18FN3O2Sc1141216(15(2)26(14)186435718)132021(28)2523(30)27(22(20)29)1910817(24)91119h313H12H3(H252830)b2013+
MFCD02043298
ZINC000002305220
ZINC02305220
ZINC2305220

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Available files

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