Vitas-M small molecule compound

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

Catalog ID
STK187333
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)C(C)C)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 C20H20FN3O2S MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O2S/c1-11(2)23-12(3)8-14(13(23)4)9-17-18(25)22-20(27)24(19(17)26)16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25,27)/b17-9+
InChIKey
LRRIFIIWZNRQQT-RQZCQDPDSA-N
Synonyms
444800-45-7
(5E)5((25DIMETHYL1(PROPAN2YL)1HPYRROL3YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(PROPAN2YL)1HPYRROL3YL)METHYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1PROPAN2YLPYRROL3YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)1(3fluorophenyl)5((1isopropyl25dimethyl1Hpyrrol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1(3FLUOROPHENYL)5((1ISOPROPYL25DIMETHYL1HPYRROL3YL)METHYLENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=C(N1C(C)C)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C(C)C)C)C1=O
InChI=1SC20H20FN3O2Sc111(2)2312(3)814(13(23)4)91718(25)2220(27)24(19(17)26)1675615(21)1016h511H14H3(H222527)b179+
MFCD03699961
ZINC1278551

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Available files

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