Vitas-M small molecule compound

(5E)-5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK170508
SMILES CN1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)[N+](=O)[O-])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 C23H19N5O6 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O6/c1-13-10-15(11-19-21(29)25-23(31)26(3)22(19)30)14(2)27(13)16-4-7-18(8-5-16)34-20-9-6-17(12-24-20)28(32)33/h4-12H,1-3H3,(H,25,29,31)/b19-11+
InChIKey
PCELANAUQFZJOQ-YBFXNURJSA-N
Synonyms

(5E)5((25DIMETHYL1(4((5NITROPYRIDIN2YL)OXY)PHENYL)1HPYRROL3YL)METHYLIDENE)1METHYLPYRIMIDINE246(1H3H5H)TRIONE
(5E)5((25DIMETHYL1(4(5NITROPYRIDIN2YL)OXYPHENYL)PYRROL3YL)METHYLIDENE)1METHYL13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC=C(C=C2)OC3=NC=C(C=C3)(N+)(=O)(O))C)C=C4C(=O)NC(=O)N(C4=O)C
CN1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)(N+)(=O)(O))C)C1=O
InChI=1SC23H19N5O6c1131015(111921(29)2523(31)26(3)22(19)30)14(2)27(13)164718(8516)34209617(122420)28(32)33h412H13H3(H252931)b1911+
MFCD03137237
ZINC000009891800
ZINC9891800

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Available files

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