Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK052403
SMILES COc1ccc(cc1)CN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)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 C27H24N4O2S2 MW 500.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O2S2/c1-18-7-13-21(14-8-18)34-17-24-22(16-28-15-19-9-11-20(33-2)12-10-19)26(32)31(30-24)27-29-23-5-3-4-6-25(23)35-27/h3-14,16,28H,15,17H2,1-2H3/b22-16+InChIKey
SLVDSWBVGIWHQX-CJLVFECKSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((4METHOXYBENZYL)AMINO)METHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(((4methoxyphenyl)methylamino)methylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
2(13BENZOTHIAZOL2YL)4(((4METHOXYBENZYL)AMINO)METHYLENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCC3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5S4
COc1ccc(cc1)CNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC27H24N4O2S2c11871321(14818)34172422(1628151991120(332)121019)26(32)31(3024)272923534625(23)3527h3141628H1517H212H3b2216+
MFCD02109789
STK052403
ZINC000100641719
ZINC100641719
Check stock
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Check stock on Vitas-MAvailable files
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