Vitas-M small molecule compound
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]propanoyl}-L-valine
Catalog ID
STL460915
SMILES O=C(C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)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 C21H25NO6 MW 387.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO6/c1-10(2)18(20(24)25)22-19(23)12(4)27-15-8-11(3)9-16-17(15)13-6-5-7-14(13)21(26)28-16/h8-10,12,18H,5-7H2,1-4H3,(H,22,23)(H,24,25)/t12?,18-/m0/s1InChIKey
SKLQXKRCRNCBBG-ZJFPTPTDSA-NSynonyms
956973-43-6(2S)3methyl2(2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)propanamido)butanoicacid
(2S)3methyl2(2((7methyl4oxo23dihydro1Hcyclopenta(c)chromen9yl)oxy)propanoylamino)butanoicacid
956973436
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)NC(C(C)C)C(=O)O
InChI=1SC21H25NO6c110(2)18(20(24)25)2219(23)12(4)2715811(3)91617(15)1365714(13)21(26)2816h8101218H57H214H3(H2223)(H2425)t12?18m0s1
N(2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)propanoyl)Lvaline
O=C(C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)N(C@H)(C(=O)O)C(C)C
ZINC000002140226
ZINC000002140227
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