Vitas-M small molecule compound
4,4'-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK509046
SMILES COc1cc(c(c(c1OCc1ccccc1)Br)Br)C(c1c(=O)n(n(c1C)C)c1ccccc1)c1c(=O)n(n(c1C)C)c1ccccc1
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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 C37H34Br2N4O4 MW 758.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34Br2N4O4/c1-23-30(36(44)42(40(23)3)26-17-11-7-12-18-26)32(31-24(2)41(4)43(37(31)45)27-19-13-8-14-20-27)28-21-29(46-5)35(34(39)33(28)38)47-22-25-15-9-6-10-16-25/h6-21,32H,22H2,1-5H3InChIKey
NWHTXGQOOQGRQG-UHFFFAOYSA-NSynonyms
353478-90-7353478907
4((23DIBROMO5METHOXY4PHENYLMETHOXYPHENYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)15DIMETHYL2PHENYLPYRAZOL3ONE
44((4(benzyloxy)23dibromo5methoxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3Br)Br)OCC4=CC=CC=C4)OC)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C
InChI=1SC37H34Br2N4O4c12330(36(44)42(40(23)3)2617117121826)32(3124(2)41(4)43(37(31)45)2719138142027)282129(465)35(34(39)33(28)38)4722251596101625h62132H22H215H3
MFCD01919231
ZINC000098045841
ZINC98045841
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