Vitas-M small molecule compound
methyl 4-[(3E)-3-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK616084
SMILES COCCCN1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O
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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 C31H31NO7 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO7/c1-20-6-4-7-21(18-20)19-39-25-14-12-23(13-15-25)28(33)26-27(22-8-10-24(11-9-22)31(36)38-3)32(16-5-17-37-2)30(35)29(26)34/h4,6-15,18,27,33H,5,16-17,19H2,1-3H3/b28-26+InChIKey
KLDVKJOCHZGZDK-BYCLXTJYSA-NSynonyms
835911-82-5835911825
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC=C(C=C4)C(=O)OC)O
COCCCN1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccc(cc2)OCc2cccc(c2)C)O)C(=O)C1=O
InChI=1SC31H31NO7c12064721(1820)193925141223(131525)28(33)2627(2281024(11922)31(36)383)32(16517372)30(35)29(26)34h4615182733H5161719H213H3b2826+
methyl4((3E)3(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)1(3methoxypropyl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3METHOXYPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD08737082
ZINC000102714572
ZINC000102714576
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