Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STL023714
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCCCN1CCOCC1)/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 C22H27N5O4S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O4S/c1-15(23-8-5-9-26-10-12-31-13-11-26)20-17(14-19(28)30-2)25-27(21(20)29)22-24-16-6-3-4-7-18(16)32-22/h3-4,6-7,23H,5,8-14H2,1-2H3/b20-15-InChIKey
QEGFTQYOBNMBIT-HKWRFOASSA-NSynonyms
(Z)methyl2(1(benzo(d)thiazol2yl)4(1((3morpholinopropyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCCCN4CCOCC4
COC(=O)CC1=NN(C(=O)C1=C(NCCCN1CCOCC1)C)c1nc2c(s1)cccc2
InChI=1SC22H27N5O4Sc115(2385926101231131126)2017(1419(28)302)2527(21(20)29)222416634718(16)3222h346723H5814H212H3b2015
methyl((4Z)1(13benzothiazol2yl)4(1((3(morpholin4yl)propyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)1(13benzothiazol2yl)4(1(3morpholin4ylpropylamino)ethylidene)5oxopyrazol3yl)acetate
MFCD08746186
ZINC000020287330
ZINC20287330
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