Vitas-M small molecule compound

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

Catalog ID
STL530699
SMILES CSC[C@@H](C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)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 C27H27NO6S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S/c1-14-18(10-11-22(29)28-21(13-35-4)26(30)31)27(32)34-24-15(2)25-20(12-19(14)24)23(16(3)33-25)17-8-6-5-7-9-17/h5-9,12,21H,10-11,13H2,1-4H3,(H,28,29)(H,30,31)/t21-/m0/s1
InChIKey
KMDXCFAKTVWZEM-NRFANRHFSA-N
Synonyms
956194-13-1
(2~(R))3methylsulfanyl2(3(259trimethyl7oxo3phenylfuro(32g)chromen6yl)propanoylamino)propanoicacid
(2R)3METHYLSULFANYL2(3(259TRIMETHYL7OXO3PHENYLFURO(32G)CHROMEN6YL)PROPANOYLAMINO)PROPANOICACID
(R)3(METHYLTHIO)2(3(259TRIMETHYL7OXO3PHENYL7HFURO(32G)CHROMEN6YL)PROPANAMIDO)PROPANOICACID
1806487
956194131
CSC(C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
InChI=1SC27H27NO6Sc11418(101122(29)2821(13354)26(30)31)27(32)342415(2)2520(1219(14)24)23(16(3)3325)178657917h591221H101113H214H3(H2829)(H3031)t21m0s1
SmethylN(3(259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)Lcysteine
ZINC000002158652
ZINC2158652

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Available files

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