Vitas-M small molecule compound
methyl N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]valinate
Catalog ID
STL469533
SMILES COC(=O)C(C(C)C)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)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 C23H27NO6 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO6/c1-11(2)19(23(27)28-6)24-18(25)8-7-15-13(4)17-9-16-12(3)10-29-20(16)14(5)21(17)30-22(15)26/h9-11,19H,7-8H2,1-6H3,(H,24,25)InChIKey
QNRNGNKPJOONLE-UHFFFAOYSA-NSynonyms
(S)methyl3methyl2(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)butanoate
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(C(C)C)C(=O)OC)C)C
COC(=O)(C@H)(C(C)C)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
InChI=1SC23H27NO6c111(2)19(23(27)286)2418(25)871513(4)1791612(3)102920(16)14(5)21(17)3022(15)26h91119H78H216H3(H2425)
methyl3methyl2(3(359trimethyl7oxofuro(32g)chromen6yl)propanoylamino)butanoate
methylN(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)valinate
MFCD31751085
ZINC000049543197
ZINC000211402268
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