Vitas-M small molecule compound

(5E)-5-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK712589
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccn2CCOc2cc(C)cc(c2)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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-4-20-7-9-21(10-8-20)30-26(32)24(25(31)28-27(30)33)17-22-6-5-11-29(22)12-13-34-23-15-18(2)14-19(3)16-23/h5-11,14-17H,4,12-13H2,1-3H3,(H,28,31,33)/b24-17+
InChIKey
VHGZBHCSTHZFGU-JJIBRWJFSA-N
Synonyms

(5E)5((1(2(35dimethylphenoxy)ethyl)1Hpyrrol2yl)methylidene)1(4ethylphenyl)pyrimidine246(1H3H5H)trione
(5E)5((1(2(35DIMETHYLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(4ETHYLPHENYL)13DIAZINANE246TRIONE
(Z)5((1(2(35dimethylphenoxy)ethyl)1Hpyrrol2yl)methylene)1(4ethylphenyl)pyrimidine246(1H3H5H)trione
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=CC(=CC(=C4)C)C)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccn2CCOc2cc(C)cc(c2)C)C1=O
InChI=1SC27H27N3O4c14207921(10820)3026(32)24(25(31)2827(30)33)1722651129(22)121334231518(2)1419(3)1623h5111417H41213H213H3(H283133)b2417+
MFCD13371454
ZINC000009165349
ZINC9165349

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Available files

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