Vitas-M small molecule compound

(5Z)-1-(3-bromophenyl)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK170447
SMILES Brc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)[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 C22H14BrN3O6 MW 496.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O6/c1-12-5-6-13(9-18(12)26(30)31)19-8-7-16(32-19)11-17-20(27)24-22(29)25(21(17)28)15-4-2-3-14(23)10-15/h2-11H,1H3,(H,24,27,29)/b17-11-
InChIKey
QASBDONAYVWLNP-BOPFTXTBSA-N
Synonyms

(5Z)1(3BROMOPHENYL)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3BROMOPHENYL)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
Brc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br)(N+)(=O)(O)
InChI=1SC22H14BrN3O6c1125613(918(12)26(30)31)198716(3219)111720(27)2422(29)25(21(17)28)1542314(23)1015h211H1H3(H242729)b1711
MFCD04531316
ZINC000001176665
ZINC01176665
ZINC1176665

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Available files

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