Vitas-M small molecule compound
ethyl 5-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
Catalog ID
STK944917
SMILES CCOC(=O)c1c2cc(OCC(Cn3nc(c(c3C)Br)C)O)ccc2n(c1C)c1ccc(cc1)C
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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 C27H30BrN3O4 MW 540.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrN3O4/c1-6-34-27(33)25-18(4)31(20-9-7-16(2)8-10-20)24-12-11-22(13-23(24)25)35-15-21(32)14-30-19(5)26(28)17(3)29-30/h7-13,21,32H,6,14-15H2,1-5H3InChIKey
JLIVDYUDGNCGDA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=C(C(=N3)C)Br)C)O)C4=CC=C(C=C4)C)C
ethyl5(3(4bromo35dimethyl1Hpyrazol1yl)2hydroxypropoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
ETHYL5(3(4BROMO35DIMETHYLPYRAZOL1YL)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ETHYL5(3(4BROMO35DIMETHYLPYRAZOLYL)2HYDROXYPROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
InChI=1SC27H30BrN3O4c163427(33)2518(4)31(209716(2)81020)24121122(1323(24)25)351521(32)143019(5)26(28)17(3)2930h7132132H61415H215H3
MFCD03130485
ZINC000003635848
ZINC000003635850
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