Vitas-M small molecule compound

6-{[(2E)-3-(3,4-diethoxyphenyl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}hexanoic acid

Catalog ID
STK551891
SMILES CCOc1cc(ccc1OCC)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)c1ccc(cc1)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 C27H34N2O7 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O7/c1-4-35-23-15-10-19(18-24(23)36-5-2)17-22(27(33)28-16-8-6-7-9-25(30)31)29-26(32)20-11-13-21(34-3)14-12-20/h10-15,17-18H,4-9,16H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)/b22-17+
InChIKey
AITNRJYBKHXDBB-OQKWZONESA-N
Synonyms
733012-99-2
(E)6(3(34diethoxyphenyl)2(4methoxybenzamido)acrylamido)hexanoicacid
6(((2E)3(34diethoxyphenyl)2(((4methoxyphenyl)carbonyl)amino)prop2enoyl)amino)hexanoicacid
6(((E)3(34DIETHOXYPHENYL)2((4METHOXYBENZOYL)AMINO)PROP2ENOYL)AMINO)HEXANOICACID
733012992
CCOC1=C(C=C(C=C1)C=C(C(=O)NCCCCCC(=O)O)NC(=O)C2=CC=C(C=C2)OC)OCC
CCOc1cc(ccc1OCC)C=C(C(=O)NCCCCCC(=O)O)NC(=O)c1ccc(cc1)OC
InChI=1SC27H34N2O7c143523151019(1824(23)3652)1722(27(33)2816867925(30)31)2926(32)20111321(343)141220h10151718H4916H213H3(H2833)(H2932)(H3031)b2217+
MFCD03681589
ZINC000009428580
ZINC9428580

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Available files

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