Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-{1-[(2-methoxyethyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK231973
SMILES COCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)/C
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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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-11(19-8-9-25-2)16-13(10-15(23)26-3)21-22(17(16)24)18-20-12-6-4-5-7-14(12)27-18/h4-7,19H,8-10H2,1-3H3/b16-11-InChIKey
VGNGAVZPSZADAR-WJDWOHSUSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCCOC
COCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)OC)C
InChI=1SC18H20N4O4Sc111(1989252)1613(1015(23)263)2122(17(16)24)182012645714(12)2718h4719H810H213H3b1611
methyl((4Z)1(13benzothiazol2yl)4(1((2methoxyethyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)4(1(2METHOXYETHYLAMINO)ETHYLIDENE)5OXOPYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4(((2METHOXYETHYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD07792746
ZINC000004736914
ZINC4736914
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