Vitas-M small molecule compound
(5Z)-1-(3-ethoxyphenyl)-5-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170473
SMILES CCOc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2CC)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/c1-5-19-10-7-8-13-24(19)29-17(3)14-20(18(29)4)15-23-25(31)28-27(33)30(26(23)32)21-11-9-12-22(16-21)34-6-2/h7-16H,5-6H2,1-4H3,(H,28,31,33)/b23-15-InChIKey
RJTNPYRCVFOENS-HAHDFKILSA-NSynonyms
(5Z)1(3ETHOXYPHENYL)5((1(2ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(3ETHOXYPHENYL)5((1(2ETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CCC1=CC=CC=C1N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)OCC)C
CCOc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2CC)C)C1=O
InChI=1SC27H27N3O4c151910781324(19)2917(3)1420(18(29)4)152325(31)2827(33)30(26(23)32)211191222(1621)3462h716H56H214H3(H283133)b2315
MFCD02629312
ZINC000000977438
ZINC00977438
ZINC977438
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