Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-methylpiperazin-1-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446589
SMILES CN1CCN(CC1)/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/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 C24H24ClN5OS2 MW 498.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN5OS2/c1-16(29-13-11-28(2)12-14-29)22-20(15-32-18-9-7-17(25)8-10-18)27-30(23(22)31)24-26-19-5-3-4-6-21(19)33-24/h3-10H,11-15H2,1-2H3/b22-16-InChIKey
YSYWMXHWPBILKI-JWGURIENSA-NSynonyms
(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1(4methylpiperazin1yl)ethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1(4METHYLPIPERAZIN1YL)ETHYLIDENE)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)N5CCN(CC5)C
CN1CCN(CC1)C(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)C
InChI=1SC24H24ClN5OS2c116(29131128(2)121429)2220(1532189717(25)81018)2730(23(22)31)242619534621(19)3324h310H1115H212H3b2216
MFCD06240667
ZINC000016949264
ZINC16949264
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