Vitas-M small molecule compound

N-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucine

Catalog ID
STL530523
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-6-15(2)25(28(32)33)30-23(31)13-12-20-16(3)21-14-22-24(19-10-8-7-9-11-19)18(5)35-27(22)17(4)26(21)36-29(20)34/h7-11,14-15,25H,6,12-13H2,1-5H3,(H,30,31)(H,32,33)/t15-,25+/m1/s1
InChIKey
ZLGJXOQFOWVJHX-BZQUYTCOSA-N
Synonyms
956048-35-4
(2~(S)3~(R))3methyl2(3(259trimethyl7oxo3phenylfuro(32g)chromen6yl)propanoylamino)pentanoicacid
(2S3R)3METHYL2(3(259TRIMETHYL7OXO3PHENYL7HFURO(32G)CHROMEN6YL)PROPANAMIDO)PENTANOICACID
(2S3R)3METHYL2(3(259TRIMETHYL7OXO3PHENYLFURO(32G)CHROMEN6YL)PROPANOYLAMINO)PENTANOICACID
1780759
956048354
CC(C@H)((C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)C
InChI=1SC29H31NO6c1615(2)25(28(32)33)3023(31)13122016(3)21142224(19108791119)18(5)3527(22)17(4)26(21)3629(20)34h711141525H61213H215H3(H3031)(H3233)t1525+m1s1
N(3(259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)Lisoleucine
ZINC000002126077
ZINC2126077

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Available files

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