Vitas-M small molecule compound

(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK799193
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)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 C35H29ClN4O2S MW 605.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29ClN4O2S/c1-3-42-29-16-19-31(24(2)20-29)34-25(22-39(38-34)27-10-6-4-7-11-27)21-32-33(23-43-30-17-14-26(36)15-18-30)37-40(35(32)41)28-12-8-5-9-13-28/h4-22H,3,23H2,1-2H3/b32-21-
InChIKey
ZRLITRNIWHAMAS-QXPFVDMISA-N
Synonyms

(4Z)5(((4chlorophenyl)sulfanyl)methyl)4((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)4((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl)C6=CC=CC=C6)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)c1ccccc1
InChI=1SC35H29ClN4O2Sc134229161931(24(2)2029)3425(2239(3834)27106471127)213233(234330171426(36)151830)3740(35(32)41)28128591328h422H323H212H3b3221
MFCD03462319
ZINC000100839797
ZINC100839797

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Available files

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