Vitas-M small molecule compound
(2S)-({2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)(phenyl)ethanoic acid
Catalog ID
STL460856
SMILES CC(C(=O)N[C@@H](c1ccccc1)C(=O)O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
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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 C29H27NO6 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6/c1-17-22-14-15-24(18(2)26(22)36-29(34)23(17)16-20-10-6-4-7-11-20)35-19(3)27(31)30-25(28(32)33)21-12-8-5-9-13-21/h4-15,19,25H,16H2,1-3H3,(H,30,31)(H,32,33)/t19?,25-/m0/s1InChIKey
MELGNDPDEJSRDZ-BIAFCPFJSA-NSynonyms
956781-85-4(2S)((2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanamido)2phenylaceticacid
(2S)2(2(3BENZYL48DIMETHYL2OXOCHROMEN7YL)OXYPROPANOYLAMINO)2PHENYLACETICACID
956781854
CC(C(=O)N(C@@H)(c1ccccc1)C(=O)O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4
InChI=1SC29H27NO6c11722141524(18(2)26(22)3629(34)23(17)1620106471120)3519(3)27(31)3025(28(32)33)21128591321h4151925H16H213H3(H3031)(H3233)t19?25m0s1
ZINC000002106470
ZINC000002106471
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