Vitas-M small molecule compound

dimethyl 4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403127
SMILES COC(=O)C1=CN(C=C(C1c1cscc1)C(=O)OC)c1cccc(c1)C(F)(F)F

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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 C20H16F3NO4S MW 423.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3NO4S/c1-27-18(25)15-9-24(14-5-3-4-13(8-14)20(21,22)23)10-16(19(26)28-2)17(15)12-6-7-29-11-12/h3-11,17H,1-2H3
InChIKey
XKFILWZWRDDADV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C=C(C1C2=CSC=C2)C(=O)OC)C3=CC=CC(=C3)C(F)(F)F
dimethyl4(thiophen3yl)1(3(trifluoromethyl)phenyl)14dihydropyridine35dicarboxylate
DIMETHYL4THIOPHEN3YL1(3(TRIFLUOROMETHYL)PHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC20H16F3NO4Sc12718(25)15924(1453413(814)20(2122)23)1016(19(26)282)17(15)1267291112h31117H12H3
MFCD03146517
ZINC000001155762
ZINC01155762
ZINC1155762

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Available files

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