Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK207152
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCCc1c[nH]cn1)/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 C20H20N6O3S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O3S/c1-12(22-8-7-13-10-21-11-23-13)18-15(9-17(27)29-2)25-26(19(18)28)20-24-14-5-3-4-6-16(14)30-20/h3-6,10-11,22H,7-9H2,1-2H3,(H,21,23)/b18-12-InChIKey
CHQYABRKEOPDKI-PDGQHHTCSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCCC4=CN=CN4
COC(=O)CC1=NN(C(=O)C1=C(NCCc1c(nH)cn1)C)c1nc2c(s1)cccc2
InChI=1SC20H20N6O3Sc112(2287131021112313)1815(917(27)292)2526(19(18)28)202414534616(14)3020h36101122H79H212H3(H2123)b1812
methyl((4Z)1(13benzothiazol2yl)4(1((2(1Himidazol4yl)ethyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)4(1(2(1HIMIDAZOL5YL)ETHYLAMINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
MFCD06014554
ZINC000100190985
ZINC100190985
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