Vitas-M small molecule compound
(4Z)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK810739
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)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 C37H34N4O2S MW 598.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N4O2S/c1-4-21-43-31-17-20-33(27(3)22-31)36-28(24-40(39-36)29-11-7-5-8-12-29)23-34-35(25-44-32-18-15-26(2)16-19-32)38-41(37(34)42)30-13-9-6-10-14-30/h5-20,22-24H,4,21,25H2,1-3H3/b34-23-InChIKey
WADARGYOQPKVPV-XSVYLIDLSA-NSynonyms
(4Z)5(((4methylphenyl)sulfanyl)methyl)4((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4METHYLPHENYL)SULFANYLMETHYL)4((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C)C6=CC=CC=C6)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC37H34N4O2Sc14214331172033(27(3)2231)3628(2440(3936)29117581229)233435(254432181526(2)161932)3841(37(34)42)301396101430h5202224H42125H213H3b3423
MFCD03933030
ZINC000100840486
ZINC100840486
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