Vitas-M small molecule compound

(4Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK084344
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc(c2C)[N+](=O)[O-])/C1=O)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 C21H18N6O4S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O4S/c1-12-16(5-4-6-18(12)27(29)30)23-24-19-13(2)25-26(20(19)28)21-22-17(11-32-21)14-7-9-15(31-3)10-8-14/h4-11,23H,1-3H3/b24-19-
InChIKey
VMYYTMOPLLZVOU-CLCOLTQESA-N
Synonyms

(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)5METHYL4((2METHYL3NITROPHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)5METHYL4(2(2METHYL3NITROPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=CC=C1(N+)(=O)(O))NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2C)(N+)(=O)(O))C1=O)C
InChI=1SC21H18N6O4Sc11216(54618(12)27(29)30)23241913(2)2526(20(19)28)212217(113221)147915(313)10814h41123H13H3b2419
MFCD01418973
STK084344
ZINC000012372505
ZINC100527741

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Available files

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