Vitas-M small molecule compound
methyl {(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-[1-(pyridin-2-ylamino)ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STK234782
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1ccccn1)/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 C20H17N5O3S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O3S/c1-12(22-16-9-5-6-10-21-16)18-14(11-17(26)28-2)24-25(19(18)27)20-23-13-7-3-4-8-15(13)29-20/h3-10H,11H2,1-2H3,(H,21,22)/b18-12-InChIKey
UEODPWCEAIJVAC-PDGQHHTCSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC=CC=N4
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccccn1)C)c1nc2c(s1)cccc2
InChI=1SC20H17N5O3Sc112(2216956102116)1814(1117(26)282)2425(19(18)27)202313734815(13)2920h310H11H212H3(H2122)b1812
methyl((4Z)1(13benzothiazol2yl)5oxo4(1(pyridin2ylamino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)5OXO4(1(PYRIDIN2YLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL5OXO4((2PYRIDYLAMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD07597815
ZINC000100423575
ZINC04999663
ZINC100423575
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