Vitas-M small molecule compound

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

Catalog ID
STL532623
SMILES CSCC[C@@H](C(=O)NCCC(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

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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 C25H30N2O7S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7S/c1-13-12-33-22-15(3)23-18(11-17(13)22)14(2)16(25(32)34-23)5-6-20(28)27-19(8-10-35-4)24(31)26-9-7-21(29)30/h11-12,19H,5-10H2,1-4H3,(H,26,31)(H,27,28)(H,29,30)/t19-/m0/s1
InChIKey
JCDSYMXJEDWHAY-IBGZPJMESA-N
Synonyms
956818-46-5
(S)3(4(METHYLTHIO)2(3(359TRIMETHYL7OXO7HFURO(32G)CHROMEN6YL)PROPANAMIDO)BUTANAMIDO)PROPANOICACID
16403927
3(((2~(S))4methylsulfanyl2(3(359trimethyl7oxofuro(32g)chromen6yl)propanoylamino)butanoyl)amino)propanoicacid
956818465
CSCC(C@@H)(C(=O)NCCC(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
InChI=1SC25H30N2O7Sc11312332215(3)2318(1117(13)22)14(2)16(25(32)3423)5620(28)2719(810354)24(31)269721(29)30h111219H510H214H3(H2631)(H2728)(H2930)t19m0s1
N(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Lmethionylbetaalanine
ZINC000008790207
ZINC8790207

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Available files

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