Vitas-M small molecule compound

2-methylpropyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK813195
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1C1NC(=O)NC(=C1C(=O)OCC(C)C)C)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 C31H38N4O4 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N4O4/c1-5-6-7-11-18-38-25-16-14-23(15-17-25)28-26(19-35(34-28)24-12-9-8-10-13-24)29-27(22(4)32-31(37)33-29)30(36)39-20-21(2)3/h8-10,12-17,19,21,29H,5-7,11,18,20H2,1-4H3,(H2,32,33,37)
InChIKey
PVAPQVVZHMARSL-UHFFFAOYSA-N
Synonyms
618439-50-2
2methylpropyl4(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2METHYLPROPYL4(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
618439502
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC(C)C)C4=CC=CC=C4
InChI=1SC31H38N4O4c156711183825161423(151725)2826(1935(3428)241298101324)2927(22(4)3231(37)3329)30(36)392021(2)3h8101217192129H57111820H214H3(H2323337)
MFCD03514492
ZINC000016729878
ZINC000016729881

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.