Vitas-M small molecule compound
S-methyl-N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteine
Catalog ID
STL464350
SMILES CSC[C@H](C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)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 C22H25NO6S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6S/c1-10-13(4)28-19-12(3)20-16(8-15(10)19)11(2)14(22(27)29-20)6-7-18(24)23-17(9-30-5)21(25)26/h8,17H,6-7,9H2,1-5H3,(H,23,24)(H,25,26)/t17-/m1/s1InChIKey
SJKMGPBQAZRQMI-QGZVFWFLSA-NSynonyms
(2S)3methylsulfanyl2(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoicacid
(R)3(methylthio)2(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CCC(=O)NC(CSC)C(=O)O)C)C
CSC(C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
CSC(C@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
InChI=1SC22H25NO6Sc11013(4)281912(3)2016(815(10)19)11(2)14(22(27)2920)6718(24)2317(9305)21(25)26h817H679H215H3(H2324)(H2526)t17m1s1
SmethylN(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dcysteine
ZINC000011865648
ZINC11865648
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.