Vitas-M small molecule compound
(4Z)-4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK035932
SMILES COc1cc(OC)c(cc1/C=C\1/C(=NN(C1=O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-])Br
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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 C28H21BrN4O5S MW 605.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN4O5S/c1-16-4-6-17(7-5-16)23-15-39-28(30-23)32-27(34)21(12-19-13-22(29)25(38-3)14-24(19)37-2)26(31-32)18-8-10-20(11-9-18)33(35)36/h4-15H,1-3H3/b21-12-InChIKey
SIAQGUNZYBMBGL-MTJSOVHGSA-NSynonyms
(4Z)4((5BROMO24DIMETHOXYPHENYL)METHYLIDENE)2(4(4METHYLPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
(4Z)4(5BROMO24DIMETHOXYBENZYLIDENE)2(4(4METHYLPHENYL)13THIAZOL2YL)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=CC4=CC(=C(C=C4OC)OC)Br)C(=N3)C5=CC=C(C=C5)(N+)(=O)(O)
COc1cc(OC)c(cc1C=C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC28H21BrN4O5Sc1164617(7516)23153928(3023)3227(34)21(12191322(29)25(383)1424(19)372)26(3132)1881020(11918)33(35)36h415H13H3b2112
MFCD01630512
STK035932
ZINC000059735139
ZINC59735139
Check stock
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