Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,3-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231933
SMILES COc1c(cccc1OC)N/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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-12(22-15-9-7-10-16(27-3)19(15)28-4)18-13(2)24-25(20(18)26)21-23-14-8-5-6-11-17(14)29-21/h5-11,22H,1-4H3/b18-12-InChIKey
VTQKXZKNLURXGR-PDGQHHTCSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((23dimethoxyphenyl)amino)ethylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(23DIMETHOXYANILINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
1BENZOTHIAZOL2YL4(((23DIMETHOXYPHENYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NC2=C(C(=CC=C2)OC)OC)C3=NC4=CC=CC=C4S3
COc1c(cccc1OC)NC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC21H20N4O3Sc112(2215971016(273)19(15)284)1813(2)2425(20(18)26)2123148561117(14)2921h51122H14H3b1812
MFCD07597036
ZINC000100423149
ZINC100423149
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