Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK053663
SMILES COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccc(c(c1)Br)OC)C(=O)OC

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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 C21H24BrNO6 MW 466.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO6/c1-26-18-7-6-13(9-17(18)22)19-15(20(24)27-2)11-23(10-14-5-4-8-29-14)12-16(19)21(25)28-3/h6-7,9,11-12,14,19H,4-5,8,10H2,1-3H3
InChIKey
HTVFFEOSKYXQIA-UHFFFAOYSA-N
Synonyms
443326-25-8
443326258
COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccc(c(c1)Br)OC)C(=O)OC
COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3CCCO3)C(=O)OC)Br
DIMETHYL4(3BROMO4METHOXYPHENYL)1((2R)TETRAHYDROFURAN2YLMETHYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIMETHYL4(3BROMO4METHOXYPHENYL)1((2S)TETRAHYDROFURAN2YLMETHYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIMETHYL4(3BROMO4METHOXYPHENYL)1(OXOLAN2YLMETHYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL4(3BROMO4METHOXYPHENYL)1(TETRAHYDROFURAN2YLMETHYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC21H24BrNO6c126187613(917(18)22)1915(20(24)272)1123(10145482914)1216(19)21(25)283h67911121419H45810H213H3
MFCD03489241
STK053663
ZINC000001457586
ZINC000001457587

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.