Vitas-M small molecule compound

S-ethyl-N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-homocysteine

Catalog ID
STL463527
SMILES CCSCC[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 C24H29NO6S MW 459.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO6S/c1-6-32-10-9-19(23(27)28)25-20(26)8-7-16-13(3)18-11-17-12(2)15(5)30-21(17)14(4)22(18)31-24(16)29/h11,19H,6-10H2,1-5H3,(H,25,26)(H,27,28)/t19-/m1/s1
InChIKey
BJESXFVKYMLCTH-LJQANCHMSA-N
Synonyms

(2R)4ethylsulfanyl2(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)butanoicacid
(S)4(ethylthio)2(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)butanoicacid
CCSCC(C@@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
CCSCC(C@H)(C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
CCSCCC(C(=O)O)NC(=O)CCC1=C(C2=CC3=C(C(=C2OC1=O)C)OC(=C3C)C)C
InChI=1SC24H29NO6Sc163210919(23(27)28)2520(26)871613(3)18111712(2)15(5)3021(17)14(4)22(18)3124(16)29h1119H610H215H3(H2526)(H2728)t19m1s1
SethylN(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dhomocysteine
ZINC000011865455
ZINC11865455

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Available files

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