Vitas-M small molecule compound
N-{2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoyl}-D-isoleucine
Catalog ID
STL460876
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)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/c1-4-11(2)18(20(24)25)22-19(23)12(3)27-13-8-9-15-14-6-5-7-16(14)21(26)28-17(15)10-13/h8-12,18H,4-7H2,1-3H3,(H,22,23)(H,24,25)/t11-,12?,18+/m0/s1InChIKey
SVYHFIUVFJSAER-APGDPANTSA-NSynonyms
(2R3S)3methyl2(2((4oxo23dihydro1Hcyclopenta(c)chromen7yl)oxy)propanoylamino)pentanoicacid
(2S3S)3methyl2(2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)propanamido)pentanoicacid
CC(C@@H)((C@@H)(C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)C)C
CC(C@@H)((C@H)(C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)C)C
CCC(C)C(C(=O)O)NC(=O)C(C)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2
InChI=1SC21H25NO6c1411(2)18(20(24)25)2219(23)12(3)271389151465716(14)21(26)2817(15)1013h81218H47H213H3(H2223)(H2425)t1112?18+m0s1
MFCD10040668
N(2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)propanoyl)Disoleucine
ZINC000008197946
ZINC000011866819
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