Vitas-M small molecule compound
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-L-isoleucine
Catalog ID
STL460854
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-6-15(2)23(26(30)31)28-25(29)18(5)33-22-13-12-20-16(3)21(14-19-10-8-7-9-11-19)27(32)34-24(20)17(22)4/h7-13,15,18,23H,6,14H2,1-5H3,(H,28,29)(H,30,31)/t15-,18?,23+/m1/s1InChIKey
LRBDFTCHXNSVFG-YHVAZXABSA-NSynonyms
(2S3R)2(2(3benzyl48dimethyl2oxochromen7yl)oxypropanoylamino)3methylpentanoicacid
(2S3S)2(2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanamido)3methylpentanoicacid
CC(C@@H)((C@@H)(C(=O)O)NC(=O)C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)C
CCC(C)C(C(=O)O)NC(=O)C(C)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C
InChI=1SC27H31NO6c1615(2)23(26(30)31)2825(29)18(5)332213122016(3)21(1419108791119)27(32)3424(20)17(22)4h713151823H614H215H3(H2829)(H3031)t1518?23+m1s1
MFCD10040664
N(2((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)propanoyl)Lisoleucine
ZINC000011866816
ZINC000011866817
Check stock
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Check stock on Vitas-MAvailable files
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