Vitas-M small molecule compound

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

Catalog ID
STK082429
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc3c(c2)cccc3)/C1=O)c1ccc(cc1)[N+](=O)[O-]

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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 C29H20N6O4S MW 548.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N6O4S/c1-39-24-14-9-19(10-15-24)25-17-40-29(30-25)34-28(36)27(26(33-34)20-7-12-23(13-8-20)35(37)38)32-31-22-11-6-18-4-2-3-5-21(18)16-22/h2-17,31H,1H3/b32-27-
InChIKey
MWHILDVSUNYMRA-MXNGAVTRSA-N
Synonyms

(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)4(2(NAPHTHALEN2YL)HYDRAZINYLIDENE)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)4(NAPHTHALEN2YLHYDRAZINYLIDENE)5(4NITROPHENYL)PYRAZOL3ONE
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC5=CC=CC=C5C=C4)C(=N3)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccc3c(c2)cccc3)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H20N6O4Sc1392414919(101524)25174029(3025)3428(36)27(26(3334)2071223(13820)35(37)38)32312211618423521(18)1622h21731H1H3b3227
MFCD01418564
STK082429
ZINC000101484002
ZINC33353224

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Available files

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