Vitas-M small molecule compound
methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-methylbutyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK149850
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/NCCC(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 C20H24N4O3S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3S/c1-12(2)9-10-21-13(3)18-15(11-17(25)27-4)23-24(19(18)26)20-22-14-7-5-6-8-16(14)28-20/h5-8,12,21H,9-11H2,1-4H3/b18-13+InChIKey
FPNKBPUVNWBAFI-QGOAFFKASA-NSynonyms
(E)methyl2(1(benzo(d)thiazol2yl)4(1(isopentylamino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
CC(C)CCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(NCCC(C)C)C)c1nc2c(s1)cccc2
InChI=1SC20H24N4O3Sc112(2)9102113(3)1815(1117(25)274)2324(19(18)26)202214756816(14)2820h581221H911H214H3b1813+
METHYL((4E)1(13BENZOTHIAZOL2YL)4(1((3METHYLBUTYL)AMINO)ETHYLIDENE)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
methyl2((4E)1(13benzothiazol2yl)4(1(3methylbutylamino)ethylidene)5oxopyrazol3yl)acetate
METHYL2(1BENZOTHIAZOL2YL4(((3METHYLBUTYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD03778748
ZINC000006023146
ZINC06023146
ZINC6023146
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