Vitas-M small molecule compound
1-{N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-beta-alanyl}piperidine-4-carboxylic acid
Catalog ID
STK590540
SMILES O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)NCCC(=O)N1CCC(CC1)C(=O)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 C28H32N2O7 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7/c1-16-18(6-7-25(31)29-11-8-26(32)30-12-9-17(10-13-30)27(33)34)28(35)37-23-15-24-21(14-20(16)23)19-4-2-3-5-22(19)36-24/h14-15,17H,2-13H2,1H3,(H,29,31)(H,33,34)InChIKey
AUQHQEVBBHZWKE-UHFFFAOYSA-NSynonyms
904264-80-81(3(3(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)propanoyl)piperidine4carboxylicacid
1(3(3(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)propanoyl)piperidine4carboxylicacid
1(N(3(4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)betaalanyl)piperidine4carboxylicacid
904264808
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)NCCC(=O)N5CCC(CC5)C(=O)O
InChI=1SC28H32N2O7c11618(6725(31)2911826(32)3012917(101330)27(33)34)28(35)3723152421(1420(16)23)19423522(19)3624h141517H213H21H3(H2931)(H3334)
MFCD07639768
ZINC000009129163
ZINC9129163
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