Vitas-M small molecule compound

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

Catalog ID
STL464009
SMILES O=C(N[C@@H](C(=O)O)C)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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-9-13(5)27-18-11(3)19-16(8-15(9)18)10(2)14(21(26)28-19)6-7-17(23)22-12(4)20(24)25/h8,12H,6-7H2,1-5H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKey
DKQWZWFPKLPPNN-GFCCVEGCSA-N
Synonyms

(2R)2(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoicacid
(S)2(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CCC(=O)NC(C)C(=O)O)C)C
InChI=1SC21H23NO6c1913(5)271811(3)1916(815(9)18)10(2)14(21(26)2819)6717(23)2212(4)20(24)25h812H67H215H3(H2223)(H2425)t12m1s1
N(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dalanine
O=C(N(C@@H)(C(=O)O)C)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
O=C(N(C@H)(C(=O)O)C)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
ZINC000006075581
ZINC6075581

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Available files

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