Vitas-M small molecule compound
(4Z)-4-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK810742
SMILES CCOc1ccc(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 C36H32N4O2S MW 584.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O2S/c1-4-42-30-17-20-32(26(3)21-30)35-27(23-39(38-35)28-11-7-5-8-12-28)22-33-34(24-43-31-18-15-25(2)16-19-31)37-40(36(33)41)29-13-9-6-10-14-29/h5-23H,4,24H2,1-3H3/b33-22-InChIKey
SXTNUCUVCPYXDK-NVMPUMLXSA-NSynonyms
(4Z)4((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
CCOC1=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
CCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC36H32N4O2Sc144230172032(26(3)2130)3527(2339(3835)28117581228)223334(244331181525(2)161931)3740(36(33)41)291396101429h523H424H213H3b3322
MFCD03933031
ZINC000100840487
ZINC100840487
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