Vitas-M small molecule compound

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

Catalog ID
STK061018
SMILES CN1C(=S)NC(=O)/C(=C\c2cccn2c2ccccc2)/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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c1-18-15(21)13(14(20)17-16(18)22)10-12-8-5-9-19(12)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,20,22)/b13-10+
InChIKey
XVZLLUIBPNPJJW-JLHYYAGUSA-N
Synonyms

(5E)1METHYL5((1PHENYL1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1methyl5((1phenylpyrrol2yl)methylidene)2sulfanylidene13diazinane46dione
CN1C(=O)C(=CC2=CC=CN2C3=CC=CC=C3)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2cccn2c2ccccc2)C1=O
InChI=1SC16H13N3O2Sc11815(21)13(14(20)1716(18)22)101285919(12)116324711h210H1H3(H172022)b1310+
MFCD03228492
STK061018
ZINC000005879182
ZINC05879182
ZINC5879182

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Available files

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