Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL169457
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCC1CCCO1)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 C23H21ClN4O2S2 MW 485.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-2,5-10,13,16,25H,3-4,11-12,14H2/b18-13+InChIKey
HMKRYJBNMFBJNS-QGOAFFKASA-NSynonyms
351162-04-4(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((tetrahydrofuran2ylmethyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((oxolan2ylmethylamino)methylidene)pyrazol3one
2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(((TETRAHYDRO2FURANYLMETHYL)AMINO)METHYLENE)24DIHYDRO3HPYRAZOL3ONE
351162044
C1CC(OC1)CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNCC1CCCO1)c1nc2c(s1)cccc2
InChI=1SC23H21ClN4O2S2c24157917(10815)31142018(1325121643113016)22(29)28(2720)232619512621(19)3223h12510131625H34111214H2b1813+
MFCD01948927
ZINC000008443938
ZINC000008443940
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