Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-methoxybenzyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261932
SMILES COc1cccc(c1)CN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-13(22-12-15-7-6-8-16(11-15)27-3)19-14(2)24-25(20(19)26)21-23-17-9-4-5-10-18(17)28-21/h4-11,22H,12H2,1-3H3/b19-13-InChIKey
BAJSJAIMIDQFMU-UYRXBGFRSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((3methoxybenzyl)amino)ethylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1((3methoxyphenyl)methylamino)ethylidene)5methylpyrazol3one
(Z)1(benzo(d)thiazol2yl)4(1((3methoxybenzyl)amino)ethylidene)3methyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((((3METHOXYPHENYL)METHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NCC2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4S3
COc1cccc(c1)CNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC21H20N4O2Sc113(22121576816(1115)273)1914(2)2425(20(19)26)2123179451018(17)2821h41122H12H213H3b1913
MFCD08548220
ZINC000100422673
ZINC100422673
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