Vitas-M small molecule compound
{4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
Catalog ID
STL172437
SMILES N#CCOc1c(Br)cc(cc1OCC)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 C33H32BrN5O4 MW 642.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrN5O4/c1-6-42-27-20-23(19-26(34)31(27)43-18-17-35)30(28-21(2)36(4)38(32(28)40)24-13-9-7-10-14-24)29-22(3)37(5)39(33(29)41)25-15-11-8-12-16-25/h7-16,19-20,30H,6,18H2,1-5H3InChIKey
FIGLBRNTFWXWDW-UHFFFAOYSA-NSynonyms
(4(bis(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)methyl)2bromo6ethoxyphenoxy)acetonitrile
2(4(BIS(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)2BROMO6ETHOXYPHENOXY)ACETONITRILE
CCOC1=C(C(=CC(=C1)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)Br)OCC#N
InChI=1SC33H32BrN5O4c1642272023(1926(34)31(27)43181735)30(2821(2)36(4)38(32(28)40)241397101424)2922(3)37(5)39(33(29)41)2515118121625h716192030H618H215H3
MFCD03784948
ZINC000008398136
ZINC08398136
ZINC8398136
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