Vitas-M small molecule compound
6-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl}amino)hexanoic acid
Catalog ID
STL548235
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCCCC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
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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/c1-19(2)16-26(33(41)34-15-9-7-8-10-29(39)40)36-25-14-12-22-23(18-27(25)38)24(35-20(3)37)13-11-21-17-28(42-4)31(43-5)32(44-6)30(21)22/h12,14,17-19,24,26H,7-11,13,15-16H2,1-6H3,(H,34,41)(H,35,37)(H,36,38)(H,39,40)/t24-,26-/m0/s1InChIKey
JZTYCWGGJYHLAB-AHWVRZQESA-NSynonyms
121541550
6(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)hexanoicacid
6((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)amino)hexanoicacid
6((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)hexanoicacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCCCC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H45N3O8c119(2)1626(33(41)34159781029(39)40)362514122223(1827(25)38)24(3520(3)37)1311211728(424)31(435)32(446)30(21)22h121417192426H711131516H216H3(H3441)(H3537)(H3638)(H3940)t2426m0s1
ZINC000263585557
ZINC263585557
Check stock
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Check stock on Vitas-MAvailable files
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