Vitas-M small molecule compound
(4Z)-4-(2H-chromen-3-ylmethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK816545
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\C1=Cc2c(OC1)cccc2)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 C27H22N2O2S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O2S/c1-19-11-13-23(14-12-19)32-18-25-24(27(30)29(28-25)22-8-3-2-4-9-22)16-20-15-21-7-5-6-10-26(21)31-17-20/h2-16H,17-18H2,1H3/b24-16-InChIKey
DJCGJPJXEUFAJW-JLPGSUDCSA-NSynonyms
(4Z)4(2Hchromen3ylmethylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4(2HCHROMEN3YLMETHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC4=CC=CC=C4OC3)C5=CC=CC=C5
Cc1ccc(cc1)SCC1=NN(C(=O)C1=CC1=Cc2c(OC1)cccc2)c1ccccc1
InChI=1SC27H22N2O2Sc119111323(141219)32182524(27(30)29(2825)228324922)162015217561026(21)311720h216H1718H21H3b2416
MFCD04566124
ZINC000016733495
ZINC16733495
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