Vitas-M small molecule compound

butyl 4-{3-[(Z)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

Catalog ID
STK122032
SMILES CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)C1CCCCC1

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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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-4-5-15-36-27(34)20-11-13-23(14-12-20)30-18(2)16-21(19(30)3)17-24-25(32)29-28(35)31(26(24)33)22-9-7-6-8-10-22/h11-14,16-17,22H,4-10,15H2,1-3H3,(H,29,32,35)/b24-17-
InChIKey
XMFIEJPNIHDSFR-ULJHMMPZSA-N
Synonyms
639503-11-0
639503110
butyl4(3((Z)(1cyclohexyl246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoate
BUTYL4(3((Z)(1CYCLOHEXYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)C
CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C1CCCCC1
InChI=1SC28H33N3O5c145153627(34)20111323(141220)3018(2)1621(19(30)3)172425(32)2928(35)31(26(24)33)2297681022h1114161722H41015H213H3(H293235)b2417
MFCD04128864
ZINC000012630087
ZINC12630087

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Available files

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