Vitas-M small molecule compound
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-D-valine
Catalog ID
STL463447
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N[C@@H](C(=O)O)C(C)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 C26H25NO6 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6/c1-13(2)24(25(29)30)27-23(28)10-18-15(4)17-9-19-20(16-7-5-14(3)6-8-16)12-32-21(19)11-22(17)33-26(18)31/h5-9,11-13,24H,10H2,1-4H3,(H,27,28)(H,29,30)/t24-/m1/s1InChIKey
FQXANBXAVSUPGI-XMMPIXPASA-NSynonyms
(2R)3methyl2((2(5methyl3(4methylphenyl)7oxofuro(32g)chromen6yl)acetyl)amino)butanoicacid
(S)3methyl2(2(5methyl7oxo3(ptolyl)7Hfuro(32g)chromen6yl)acetamido)butanoicacid
CC1=CC=C(C=C1)C2=COC3=CC4=C(C=C32)C(=C(C(=O)O4)CC(=O)NC(C(C)C)C(=O)O)C
InChI=1SC26H25NO6c113(2)24(25(29)30)2723(28)101815(4)1791920(167514(3)6816)123221(19)1122(17)3326(18)31h59111324H10H214H3(H2728)(H2930)t24m1s1
MFCD06492671
N((5methyl3(4methylphenyl)7oxo7Hfuro(32g)chromen6yl)acetyl)Dvaline
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@@H)(C(=O)O)C(C)C
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@H)(C(=O)O)C(C)C
ZINC000011865413
ZINC11865413
Check stock
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Check stock on Vitas-MAvailable files
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