Vitas-M small molecule compound

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

Catalog ID
STK187738
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)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 C16H11FN2O3S MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11FN2O3S/c1-9-5-6-12(22-9)8-13-14(20)18-16(23)19(15(13)21)11-4-2-3-10(17)7-11/h2-8H,1H3,(H,18,20,23)/b13-8+
InChIKey
ISTGQNRMZMFSHG-MDWZMJQESA-N
Synonyms

(5E)1(3FLUOROPHENYL)5((5METHYL2FURANYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3FLUOROPHENYL)5((5METHYL2FURYL)METHYLENE)2THIOXOHEXAHYDROPYRIMIDINE46QUINONE
(5E)1(3FLUOROPHENYL)5((5METHYLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3FLUOROPHENYL)5((5METHYLFURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=C(O1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)C)C1=O
InChI=1SC16H11FN2O3Sc195612(229)81314(20)1816(23)19(15(13)21)1142310(17)711h28H1H3(H182023)b138+
MFCD03711272
ZINC000012729720
ZINC12729720

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Available files

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