Vitas-M small molecule compound
N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-L-isoleucine
Catalog ID
STL544236
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C33H45N3O8 MW 611.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O8/c1-7-19(2)30(33(40)41)36-28(39)11-9-8-10-16-34-25-15-13-22-23(18-26(25)38)24(35-20(3)37)14-12-21-17-27(42-4)31(43-5)32(44-6)29(21)22/h13,15,17-19,24,30H,7-12,14,16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)(H,40,41)/t19-,24+,30+/m1/s1InChIKey
PEENXFDCHSHBEJ-WEWKHQNJSA-NSynonyms
(2~(S)3~(R))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)3methylpentanoicacid
(2S3R)2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)3methylpentanoicacid
100001414
CC(C@H)((C@@H)(C(=O)O)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H45N3O8c1719(2)30(33(40)41)3628(39)11981016342515132223(1826(25)38)24(3520(3)37)1412211727(424)31(435)32(446)29(21)22h131517192430H7121416H216H3(H3438)(H3537)(H3639)(H4041)t1924+30+m1s1
N(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Lisoleucine
ZINC000218031660
ZINC218031660
Check stock
See real-time availability and sample size for STL544236 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.