Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-methylpropyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK262001
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCC(C)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 C19H22N4O3S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3S/c1-11(2)10-20-12(3)17-14(9-16(24)26-4)22-23(18(17)25)19-21-13-7-5-6-8-15(13)27-19/h5-8,11,20H,9-10H2,1-4H3/b17-12-InChIKey
WBCNLYFIJKWQRW-ATVHPVEESA-NSynonyms
(Z)methyl2(1(benzo(d)thiazol2yl)4(1(isobutylamino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
CC(C)CNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(NCC(C)C)C)c1nc2c(s1)cccc2
InChI=1SC19H22N4O3Sc111(2)102012(3)1714(916(24)264)2223(18(17)25)192113756815(13)2719h581120H910H214H3b1712
methyl((4Z)1(13benzothiazol2yl)4(1((2methylpropyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)1(13benzothiazol2yl)4(1(2methylpropylamino)ethylidene)5oxopyrazol3yl)acetate
METHYL2(1BENZOTHIAZOL2YL4(((2METHYLPROPYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD08548254
ZINC000009060363
ZINC09060363
ZINC9060363
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