Vitas-M small molecule compound
N-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-valine
Catalog ID
STL463416
SMILES O=C(N[C@@H](C(=O)O)C(C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
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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/c1-10(2)19(20(24)25)22-18(23)6-5-13-12(4)15-7-14-11(3)9-27-16(14)8-17(15)28-21(13)26/h7-10,19H,5-6H2,1-4H3,(H,22,23)(H,24,25)/t19-/m1/s1InChIKey
PYULVGRVKXCJOD-LJQANCHMSA-NSynonyms
(2R)2(3(35dimethyl7oxofuro(32g)chromen6yl)propanoylamino)3methylbutanoicacid
(S)2(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)3methylbutanoicacid
CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(C(C)C)C(=O)O)C
InChI=1SC21H23NO6c110(2)19(20(24)25)2218(23)651312(4)1571411(3)92716(14)817(15)2821(13)26h71019H56H214H3(H2223)(H2425)t19m1s1
N(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dvaline
O=C(N(C@@H)(C(=O)O)C(C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
O=C(N(C@H)(C(=O)O)C(C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
ZINC000011865396
ZINC11865396
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