Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-ethoxypropyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK234752
SMILES CCOCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-4-28-11-7-10-21-13(2)18-15(12-17(25)27-3)23-24(19(18)26)20-22-14-8-5-6-9-16(14)29-20/h5-6,8-9,21H,4,7,10-12H2,1-3H3/b18-13-InChIKey
XSUHQAGPNDWVHC-AQTBWJFISA-NSynonyms
CCOCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)C
CCOCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)C
InChI=1SC20H24N4O4Sc1428117102113(2)1815(1217(25)273)2324(19(18)26)202214856916(14)2920h568921H471012H213H3b1813
methyl((4Z)1(13benzothiazol2yl)4(1((3ethoxypropyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)4(1(3ETHOXYPROPYLAMINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4(((3ETHOXYPROPYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD07792734
ZINC000004999632
ZINC4999632
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