Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK207124
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCc1cccnc1)/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/c1-13(23-12-14-6-5-9-22-11-14)19-16(10-18(27)29-2)25-26(20(19)28)21-24-15-7-3-4-8-17(15)30-21/h3-9,11,23H,10,12H2,1-2H3/b19-13-InChIKey
VGUFHDXANJLKLQ-UYRXBGFRSA-NSynonyms
(Z)methyl2(1(benzo(d)thiazol2yl)5oxo4(1((pyridin3ylmethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCC4=CN=CC=C4
COC(=O)CC1=NN(C(=O)C1=C(NCc1cccnc1)C)c1nc2c(s1)cccc2
InChI=1SC21H19N5O3Sc113(231214659221114)1916(1018(27)292)2526(20(19)28)212415734817(15)3021h391123H1012H212H3b1913
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((pyridin3ylmethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)5OXO4(1(PYRIDIN3YLMETHYLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
MFCD06014553
ZINC000100190980
ZINC09060319
ZINC100190980
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