Vitas-M small molecule compound

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

Catalog ID
STK798869
SMILES CCCCCCOc1ccc(cc1)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 C38H35ClN4O2S MW 647.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN4O2S/c1-2-3-4-11-24-45-33-20-16-28(17-21-33)37-29(26-42(41-37)31-12-7-5-8-13-31)25-35-36(27-46-34-22-18-30(39)19-23-34)40-43(38(35)44)32-14-9-6-10-15-32/h5-10,12-23,25-26H,2-4,11,24,27H2,1H3/b35-25-
InChIKey
YQTBQSXNFCDLGA-CKWSZQMZSA-N
Synonyms

(4Z)5(((4chlorophenyl)sulfanyl)methyl)4((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)4((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CCCCCCOC1=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
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)c1ccccc1
InChI=1SC38H35ClN4O2Sc123411244533201628(172133)3729(2642(4137)31127581331)253536(274634221830(39)192334)4043(38(35)44)321496101532h51012232526H24112427H21H3b3525
MFCD03462114
ZINC000150398553
ZINC150398553

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Available files

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