Vitas-M small molecule compound
methyl {(4E)-1-(1,3-benzothiazol-2-yl)-4-[4-(dimethylamino)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STK150009
SMILES COC(=O)CC1=NN(C(=O)/C/1=C/c1ccc(cc1)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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-25(2)15-10-8-14(9-11-15)12-16-18(13-20(27)29-3)24-26(21(16)28)22-23-17-6-4-5-7-19(17)30-22/h4-12H,13H2,1-3H3/b16-12+InChIKey
CDHIOASFIWLNKB-FOWTUZBSSA-NSynonyms
CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC
COC(=O)CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1nc2c(s1)cccc2
InChI=1SC22H20N4O3Sc125(2)1510814(91115)121618(1320(27)293)2426(21(16)28)222317645719(17)3022h412H13H213H3b1612+
METHYL((4E)1(13BENZOTHIAZOL2YL)4(4(DIMETHYLAMINO)BENZYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
methyl2((4E)1(13benzothiazol2yl)4((4(dimethylamino)phenyl)methylidene)5oxopyrazol3yl)acetate
METHYL2((4E)1(13BENZOTHIAZOL2YL)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)5OXOPYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4((4(DIMETHYLAMINO)PHENYL)METHYLENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD05022527
ZINC000009720995
ZINC09720995
ZINC9720995
Check stock
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Check stock on Vitas-MAvailable files
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