Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-methylpyridin-2-yl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK234786
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1ncccc1C)/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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-12-7-6-10-22-19(12)23-13(2)18-15(11-17(27)29-3)25-26(20(18)28)21-24-14-8-4-5-9-16(14)30-21/h4-10H,11H2,1-3H3,(H,22,23)/b18-13-InChIKey
SCDWYIRDQWLCRY-AQTBWJFISA-NSynonyms
CC1=C(N=CC=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(Nc1ncccc1C)C)c1nc2c(s1)cccc2
InChI=1SC21H19N5O3Sc11276102219(12)2313(2)1815(1117(27)293)2526(20(18)28)212414845916(14)3021h410H11H213H3(H2223)b1813
methyl((4Z)1(13benzothiazol2yl)4(1((3methylpyridin2yl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)4(1((3METHYLPYRIDIN2YL)AMINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4(((3METHYL(2PYRIDYL))AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD07597899
ZINC000100423625
ZINC09189867
ZINC100423625
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