Vitas-M small molecule compound

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

Catalog ID
STK822984
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccccn1)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 C33H27N5O2S MW 557.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N5O2S/c1-2-40-28-18-16-24(17-19-28)32-25(22-37(36-32)26-11-5-3-6-12-26)21-29-30(23-41-31-15-9-10-20-34-31)35-38(33(29)39)27-13-7-4-8-14-27/h3-22H,2,23H2,1H3/b29-21-
InChIKey
HCYFJKXKKPDNRK-ANYBSYGZSA-N
Synonyms

(4Z)4((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl5((pyridin2ylsulfanyl)methyl)24dihydro3Hpyrazol3one
(4Z)4((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)2phenyl5(pyridin2ylsulfanylmethyl)pyrazol3one
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=CC=N5)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccccn1)c1ccccc1
InChI=1SC33H27N5O2Sc124028181624(171928)3225(2237(3632)26115361226)212930(23413115910203431)3538(33(29)39)27137481427h322H223H21H3b2921
MFCD03463546
ZINC000097962767
ZINC97962767

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Available files

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