Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL169959
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\N(C)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 C20H17ClN4OS2 MW 428.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS2/c1-24(2)11-15-17(12-27-14-9-7-13(21)8-10-14)23-25(19(15)26)20-22-16-5-3-4-6-18(16)28-20/h3-11H,12H2,1-2H3/b15-11-InChIKey
GZKPFVAJNXJKKA-PTNGSMBKSA-NSynonyms
(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4((dimethylamino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(dimethylaminomethylidene)pyrazol3one
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CN(C)C)c1nc2c(s1)cccc2
CN(C)C=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl
InChI=1SC20H17ClN4OS2c124(2)111517(1227149713(21)81014)2325(19(15)26)202216534618(16)2820h311H12H212H3b1511
MFCD20732059
ZINC000072353737
ZINC72353737
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