Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK065969
SMILES Clc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C22H14ClN3O5 MW 435.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O5/c23-13-3-5-14(6-4-13)25-9-1-2-15(25)10-17-20(27)24-22(29)26(21(17)28)16-7-8-18-19(11-16)31-12-30-18/h1-11H,12H2,(H,24,27,29)/b17-10+InChIKey
QMDWAELFPZXJJX-LICLKQGHSA-NSynonyms
428493-09-8(5E)1(13BENZODIOXOL5YL)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(13BENZODIOXOL5YL)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
428493098
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=CN4C5=CC=C(C=C5)Cl)C(=O)NC3=O
Clc1ccc(cc1)n1cccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC22H14ClN3O5c23133514(6413)2591215(25)101720(27)2422(29)26(21(17)28)16781819(1116)31123018h111H12H2(H242729)b1710+
MFCD02604873
STK065969
ZINC000001174487
ZINC01174487
ZINC1174487
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