Vitas-M small molecule compound
methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{[(4-methylphenyl)amino]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK001171
SMILES COC(=O)CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-13-7-9-14(10-8-13)22-12-15-17(11-19(26)28-2)24-25(20(15)27)21-23-16-5-3-4-6-18(16)29-21/h3-10,12,22H,11H2,1-2H3/b15-12+InChIKey
SGYMNXRSPTYGPV-NTCAYCPXSA-NSynonyms
(E)methyl2(1(benzo(d)thiazol2yl)5oxo4((ptolylamino)methylene)45dihydro1Hpyrazol3yl)acetate
CC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC
COC(=O)CC1=NN(C(=O)C1=CNc1ccc(cc1)C)c1nc2c(s1)cccc2
InChI=1SC21H18N4O3Sc1137914(10813)22121517(1119(26)282)2425(20(15)27)212316534618(16)2921h3101222H11H212H3b1512+
METHYL((4E)1(13BENZOTHIAZOL2YL)4(((4METHYLPHENYL)AMINO)METHYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL(1(13BENZOTHIAZOL2YL)5OXO4(4TOLUIDINOMETHYLENE)45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4E)1(13BENZOTHIAZOL2YL)4((4METHYLANILINO)METHYLIDENE)5OXOPYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4(((4METHYLPHENYL)AMINO)METHYLENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD03488912
STK001171
ZINC000005600076
ZINC05600076
ZINC5600076
Check stock
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Check stock on Vitas-MAvailable files
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