Vitas-M small molecule compound
(4Z)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK797285
SMILES CC(COc1ccc(cc1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)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 C37H34N4O2S MW 598.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N4O2S/c1-26(2)24-43-32-18-16-28(17-19-32)36-29(23-40(39-36)30-10-6-4-7-11-30)22-34-35(25-44-33-20-14-27(3)15-21-33)38-41(37(34)42)31-12-8-5-9-13-31/h4-23,26H,24-25H2,1-3H3/b34-22-InChIKey
IZTIQURTMOVTGS-VQNDASPWSA-NSynonyms
(4Z)5(((4methylphenyl)sulfanyl)methyl)4((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4METHYLPHENYL)SULFANYLMETHYL)4((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CC(COc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1)C
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC=C(C=C4)OCC(C)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC37H34N4O2Sc126(2)244332181628(171932)3629(2340(3936)30106471130)223435(254433201427(3)152133)3841(37(34)42)31128591331h42326H2425H213H3b3422
MFCD03225942
ZINC000100837419
ZINC100837419
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