Vitas-M small molecule compound

N-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoyl]tryptophan

Catalog ID
STL463580
SMILES COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2

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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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c1-14-17-8-10-22(33-3)15(2)24(17)34-26(32)18(14)9-11-23(29)28-21(25(30)31)12-16-13-27-20-7-5-4-6-19(16)20/h4-8,10,13,21,27H,9,11-12H2,1-3H3,(H,28,29)(H,30,31)
InChIKey
JRPNNSNRNQNOMT-UHFFFAOYSA-N
Synonyms

(S)3(1Hindol3yl)2(3(7methoxy48dimethyl2oxo2Hchromen3yl)propanamido)propanoicacid
3(1HINDOL3YL)2(3(7METHOXY48DIMETHYL2OXOCHROMEN3YL)PROPANOYLAMINO)PROPANOICACID
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O
COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2
COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NC(C(=O)O)Cc1c(nH)c2c1cccc2
InChI=1SC26H26N2O6c1141781022(333)15(2)24(17)3426(32)18(14)91123(29)2821(25(30)31)1216132720754619(16)20h4810132127H91112H213H3(H2829)(H3031)
MFCD10041524
N(3(7methoxy48dimethyl2oxo2Hchromen3yl)propanoyl)tryptophan
ZINC000002096698
ZINC000011865479

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.