Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(thiophen-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL438703
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCc1cccs1)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 C23H17ClN4OS3 MW 497.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4OS3/c24-15-7-9-16(10-8-15)31-14-20-18(13-25-12-17-4-3-11-30-17)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,25H,12,14H2/b18-13+InChIKey
BAODPZLTVVWQDF-QGOAFFKASA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((thiophen2ylmethyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((THIOPHEN2YLMETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CC=CS4)C(=N3)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNCc1cccs1)c1nc2c(s1)cccc2
InChI=1SC23H17ClN4OS3c24157916(10815)31142018(1325121743113017)22(29)28(2720)232619512621(19)3223h1111325H1214H2b1813+
MFCD06239603
ZINC000008694918
ZINC8694918
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