Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(hexylamino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK078506
SMILES CCCCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)/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 C26H30N4OS2 MW 478.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4OS2/c1-4-5-6-9-16-27-19(3)24-22(17-32-20-14-12-18(2)13-15-20)29-30(25(24)31)26-28-21-10-7-8-11-23(21)33-26/h7-8,10-15,27H,4-6,9,16-17H2,1-3H3/b24-19-InChIKey
GFTIWUFIXKHVLT-CLCOLTQESA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1(HEXYLAMINO)ETHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)4(1(hexylamino)ethylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
CCCCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)C
CCCCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C)C
InChI=1SC26H30N4OS2c14569162719(3)2422(173220141218(2)131520)2930(25(24)31)26282110781123(21)3326h78101527H4691617H213H3b2419
MFCD03033197
STK078506
ZINC000018136359
ZINC18136359
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