Vitas-M small molecule compound

(4E)-4-[2-(2-bromo-4-nitrophenyl)hydrazinylidene]-2-(5-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK001791
SMILES Brc1cc(ccc1N/N=C\1/C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1ncc(s1)C(C)(C)C)[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 C22H18BrN7O5S MW 572.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN7O5S/c1-22(2,3)17-11-24-21(36-17)28-20(31)19(18(27-28)12-4-6-13(7-5-12)29(32)33)26-25-16-9-8-14(30(34)35)10-15(16)23/h4-11,25H,1-3H3/b26-19+
InChIKey
BYFSRFJWCUHBSO-LGUFXXKBSA-N
Synonyms

(4E)4((2bromo4nitrophenyl)hydrazinylidene)2(5tertbutyl13thiazol2yl)5(4nitrophenyl)pyrazol3one
(4E)4(2(2BROMO4NITROPHENYL)HYDRAZINYLIDENE)2(5TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
Brc1cc(ccc1NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))c1ncc(s1)C(C)(C)C)(N+)(=O)(O)
CC(C)(C)C1=CN=C(S1)N2C(=O)C(=NNC3=C(C=C(C=C3)(N+)(=O)(O))Br)C(=N2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H18BrN7O5Sc122(23)17112421(3617)2820(31)19(18(2728)124613(7512)29(32)33)2625169814(30(34)35)1015(16)23h41125H13H3b2619+
MFCD08049035
STK001791
ZINC000101056544
ZINC101373905

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Available files

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