Vitas-M small molecule compound
(5Z)-1-butyl-5-{[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514850
SMILES CCCCN1C(=O)/C(=C\c2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)/C(=C(C1=O)C#N)C
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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 C31H30N4O3 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3/c1-5-6-12-34-30(36)26(21(4)27(17-32)31(34)37)16-24-18-35(25-10-8-7-9-11-25)33-28(24)22-13-19(2)29-23(15-22)14-20(3)38-29/h7-11,13,15-16,18,20H,5-6,12,14H2,1-4H3/b26-16-InChIKey
YXGDSJAEZRLOFM-QQXSKIMKSA-NSynonyms
(5Z)1butyl5((3(27dimethyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1butyl5((3(27dimethyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)4methyl26dioxopyridine3carbonitrile
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC4=C(C(=C3)C)OC(C4)C)C5=CC=CC=C5)C(=C(C1=O)C#N)C
CCCCN1C(=O)C(=Cc2cn(nc2c2cc(C)c3c(c2)CC(O3)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC31H30N4O3c156123430(36)26(21(4)27(1732)31(34)37)16241835(25108791125)3328(24)221319(2)2923(1522)1420(3)3829h7111315161820H561214H214H3b2616
MFCD06645013
ZINC000016741524
ZINC000016741525
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