Vitas-M small molecule compound

(4Z)-4-{[1-(4-ethoxyphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK161383
SMILES CCOc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C35H29N3O2 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29N3O2/c1-3-40-31-21-19-29(20-22-31)37-33(26-13-7-4-8-14-26)24-28(34(37)27-15-9-5-10-16-27)23-32-25(2)36-38(35(32)39)30-17-11-6-12-18-30/h4-24H,3H2,1-2H3/b32-23-
InChIKey
XRIQJYNCSUDNRN-SJIPCVTESA-N
Synonyms

(4Z)4((1(4ETHOXYPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)4((1(4ETHOXYPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(Z)4((1(4ethoxyphenyl)25diphenyl1Hpyrrol3yl)methylene)3methyl1phenyl1Hpyrazol5(4H)one
4((1(4ETHOXYPHENYL)25DIPHENYL1HPYRROL3YL)METHYLENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=NN(C4=O)C5=CC=CC=C5)C)C6=CC=CC=C6
CCOc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC35H29N3O2c134031211929(202231)3733(26137481426)2428(34(37)271595101627)233225(2)3638(35(32)39)3017116121830h424H3H212H3b3223
MFCD02323726
ZINC000008385897
ZINC08385897
ZINC8385897

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Available files

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