Vitas-M small molecule compound

diethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-1-(4-methoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407366
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C(=O)OCC

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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 C33H35NO7 MW 557.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO7/c1-5-39-32(35)27-20-34(19-23-12-15-26(37-3)16-13-23)21-28(33(36)40-6-2)31(27)25-14-17-29(30(18-25)38-4)41-22-24-10-8-7-9-11-24/h7-18,20-21,31H,5-6,19,22H2,1-4H3
InChIKey
ICKALWRNSNZFIZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC)CC4=CC=C(C=C4)OC
diethyl4(3methoxy4phenylmethoxyphenyl)1((4methoxyphenyl)methyl)4Hpyridine35dicarboxylate
diethyl4(4(benzyloxy)3methoxyphenyl)1(4methoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL5(ETHOXYCARBONYL)4(3METHOXY4(PHENYLMETHOXY)PHENYL)1((4METHOXYPHENYL)METHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC33H35NO7c153932(35)272034(1923121526(373)161323)2128(33(36)4062)31(27)25141729(30(1825)384)412224108791124h718202131H561922H214H3
MFCD04057020
ZINC000097939723
ZINC97939723

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Available files

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