Vitas-M small molecule compound

5-hydroxy-N-{2-[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoyl}tryptophan

Catalog ID
STL464261
SMILES COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)C

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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 C29H26N2O8 MW 530.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O8/c1-14-25(9-7-20-19-6-5-18(37-3)12-22(19)29(36)39-26(14)20)38-15(2)27(33)31-24(28(34)35)10-16-13-30-23-8-4-17(32)11-21(16)23/h4-9,11-13,15,24,30,32H,10H2,1-3H3,(H,31,33)(H,34,35)
InChIKey
XNBXGCIVUNNXBI-UHFFFAOYSA-N
Synonyms

(2S)3(5hydroxy1Hindol3yl)2(2((8methoxy4methyl6oxo6Hbenzo(c)chromen3yl)oxy)propanamido)propanoicacid
3(5HYDROXY1HINDOL3YL)2(2(8METHOXY4METHYL6OXOBENZO(C)CHROMEN3YL)OXYPROPANOYLAMINO)PROPANOICACID
5hydroxyN(2((8methoxy4methyl6oxo6Hbenzo(c)chromen3yl)oxy)propanoyl)tryptophan
CC1=C(C=CC2=C1OC(=O)C3=C2C=CC(=C3)OC)OC(C)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O
COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cc(O)cc2)C
COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C(=O)NC(C(=O)O)Cc1c(nH)c2c1cc(O)cc2)C
InChI=1SC29H26N2O8c11425(9720196518(373)1222(19)29(36)3926(14)20)3815(2)27(33)3124(28(34)35)10161330238417(32)1121(16)23h49111315243032H10H213H3(H3133)(H3435)
MFCD10567547
ZINC000002133546
ZINC000002133552

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Available files

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