Vitas-M small molecule compound
methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Catalog ID
STL444280
SMILES CCOc1ccc(cc1)c1n[nH]c2c1C(c1ccc(cc1)C(=O)OC)N(C2=O)c1ccc(cc1)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 C27H22BrN3O4 MW 532.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O4/c1-3-35-21-14-8-16(9-15-21)23-22-24(30-29-23)26(32)31(20-12-10-19(28)11-13-20)25(22)17-4-6-18(7-5-17)27(33)34-2/h4-15,25H,3H2,1-2H3,(H,29,30)InChIKey
GXQQGWNGYKOVHQ-UHFFFAOYSA-NSynonyms
834903-32-1834903321
CCOC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)C(=O)OC
CCOc1ccc(cc1)c1n(nH)c2c1C(c1ccc(cc1)C(=O)OC)N(C2=O)c1ccc(cc1)Br
InChI=1SC27H22BrN3O4c13352114816(91521)232224(302923)26(32)31(20121019(28)111320)25(22)174618(7517)27(33)342h41525H3H212H3(H2930)
methyl4(5(4bromophenyl)3(4ethoxyphenyl)6oxo1456tetrahydropyrrolo(34c)pyrazol4yl)benzoate
METHYL4(5(4BROMOPHENYL)3(4ETHOXYPHENYL)6OXO14DIHYDROPYRROLO(34C)PYRAZOL4YL)BENZOATE
MFCD06196065
ZINC000001404653
ZINC000001404657
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