Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL445159
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/NCC1CCCO1)\C)c1nc2c(s1)cccc2
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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 C24H23ClN4O2S2 MW 499.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O2S2/c1-15(26-13-17-5-4-12-31-17)22-20(14-32-18-10-8-16(25)9-11-18)28-29(23(22)30)24-27-19-6-2-3-7-21(19)33-24/h2-3,6-11,17,26H,4-5,12-14H2,1H3/b22-15+InChIKey
YKPZMMYHZBGUMG-PXLXIMEGSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1((tetrahydrofuran2ylmethyl)amino)ethylidene)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(oxolan2ylmethylamino)ethylidene)pyrazol3one
1BENZOTHIAZOL2YL3((4CHLOROPHENYLTHIO)METHYL)4(((OXOLAN2YLMETHYL)AMINO)ETHYLIDENE)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NCC5CCCO5
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(NCC1CCCO1)C)c1nc2c(s1)cccc2
InChI=1SC24H23ClN4O2S2c115(26131754123117)2220(14321810816(25)91118)2829(23(22)30)242719623721(19)3324h236111726H451214H21H3b2215+
MFCD03762366
ZINC000101649408
ZINC000101649412
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