Vitas-M small molecule compound
N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]glycyl-L-isoleucine
Catalog ID
STL537368
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)OC(CC1)(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 C25H32N2O7 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O7/c1-6-13(2)22(23(30)31)27-21(29)12-26-20(28)10-17-14(3)16-9-15-7-8-25(4,5)34-18(15)11-19(16)33-24(17)32/h9,11,13,22H,6-8,10,12H2,1-5H3,(H,26,28)(H,27,29)(H,30,31)/t13-,22+/m1/s1InChIKey
SBBGGEJOEOUKLS-DMZKTXOQSA-NSynonyms
1014038-56-2(2~(S)3~(R))3methyl2((2((2(226trimethyl8oxo34dihydropyrano(32g)chromen7yl)acetyl)amino)acetyl)amino)pentanoicacid
(2S3R)3methyl2(2(2(488trimethyl2oxo2678tetrahydropyrano(32g)chromen3yl)acetamido)acetamido)pentanoicacid
1014038562
17572245
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)OC(CC1)(C)C)C
InChI=1SC25H32N2O7c1613(2)22(23(30)31)2721(29)122620(28)101714(3)169157825(45)3418(15)1119(16)3324(17)32h9111322H681012H215H3(H2628)(H2729)(H3031)t1322+m1s1
MFCD09843930
N((488trimethyl2oxo78dihydro2H6Hpyrano(32g)chromen3yl)acetyl)glycylLisoleucine
ZINC000012902465
ZINC12902465
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