Vitas-M small molecule compound

N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-L-phenylalanine

Catalog ID
STL460857
SMILES O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)N[C@H](C(=O)O)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 C30H29NO6 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6/c1-18-23-14-15-26(19(2)27(23)37-30(35)24(18)16-21-10-6-4-7-11-21)36-20(3)28(32)31-25(29(33)34)17-22-12-8-5-9-13-22/h4-15,20,25H,16-17H2,1-3H3,(H,31,32)(H,33,34)/t20?,25-/m0/s1
InChIKey
WSHNOFKKEWNFQJ-KUXBLMNESA-N
Synonyms
956974-01-9
(2S)2(2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanamido)3phenylpropanoicacid
(2S)2(2(3benzyl48dimethyl2oxochromen7yl)oxypropanoylamino)3phenylpropanoicacid
956974019
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4
InChI=1SC30H29NO6c11823141526(19(2)27(23)3730(35)24(18)1621106471121)3620(3)28(32)3125(29(33)34)1722128591322h4152025H1617H213H3(H3132)(H3334)t20?25m0s1
N(2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanoyl)Lphenylalanine
O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000002152475
ZINC000002152478

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Available files

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