Vitas-M small molecule compound
methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK030887
SMILES COC(=O)c1cc(OC)c(cc1N/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)OC
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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 C27H22N4O5S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5S/c1-34-21-13-17(26(33)36-3)20(14-22(21)35-2)28-15-18-24(16-9-5-4-6-10-16)30-31(25(18)32)27-29-19-11-7-8-12-23(19)37-27/h4-15,28H,1-3H3/b18-15+InChIKey
NQANERDPGLODQQ-OBGWFSINSA-NSynonyms
(E)methyl2(((1(benzo(d)thiazol2yl)5oxo3phenyl1Hpyrazol4(5H)ylidene)methyl)amino)45dimethoxybenzoate
COC(=O)c1cc(OC)c(cc1NC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)OC
COC1=C(C=C(C(=C1)C(=O)OC)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC
InChI=1SC27H22N4O5Sc134211317(26(33)363)20(1422(21)352)28151824(1695461016)3031(25(18)32)27291911781223(19)3727h41528H13H3b1815+
METHYL2(((E)(1(13BENZOTHIAZOL2YL)5OXO3PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)45DIMETHOXYBENZOATE
METHYL2(((E)(1(13BENZOTHIAZOL2YL)5OXO3PHENYLPYRAZOL4YLIDENE)METHYL)AMINO)45DIMETHOXYBENZOATE
MFCD03033955
STK030887
ZINC000100802392
ZINC100802392
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