Vitas-M small molecule compound

(5E)-1-(2-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK828525
SMILES COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(s2)[N+](=O)[O-])/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 C16H11N3O6S MW 373.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O6S/c1-25-12-5-3-2-4-11(12)18-15(21)10(14(20)17-16(18)22)8-9-6-7-13(26-9)19(23)24/h2-8H,1H3,(H,17,20,22)/b10-8+
InChIKey
XIRKSALHAUKBGO-CSKARUKUSA-N
Synonyms

(5E)1(2METHOXYPHENYL)5((5NITROTHIOPHEN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(2methoxyphenyl)5((5nitrothiophen2yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(2methoxyphenyl)5((5nitrothiophen2yl)methylene)pyrimidine246(1H3H5H)trione
COC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(S3)(N+)(=O)(O))C(=O)NC2=O
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(s2)(N+)(=O)(O))C1=O
InChI=1SC16H11N3O6Sc12512532411(12)1815(21)10(14(20)1716(18)22)896713(269)19(23)24h28H1H3(H172022)b108+
MFCD18169665
ZINC000001821304
ZINC1821304

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Available files

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