Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-benzyl-N-methyl-L-valinamide
Catalog ID
STL541572
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N(Cc2ccccc2)C)C(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 C34H41N3O6 MW 587.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O6/c1-20(2)31(34(40)37(4)19-22-11-9-8-10-12-22)36-27-16-14-24-25(18-28(27)39)26(35-21(3)38)15-13-23-17-29(41-5)32(42-6)33(43-7)30(23)24/h8-12,14,16-18,20,26,31H,13,15,19H2,1-7H3,(H,35,38)(H,36,39)/t26-,31-/m0/s1InChIKey
FGEQAJQRWGROKI-HVNZXBJASA-NSynonyms
1574380-37-2(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)benzyl~(N)3dimethylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)NbenzylN3dimethylbutanamide
1574380372
75492144
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(Cc2ccccc2)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H41N3O6c120(2)31(34(40)37(4)19221198101222)362716142425(1828(27)39)26(3521(3)38)1513231729(415)32(426)33(437)30(23)24h812141618202631H131519H217H3(H3538)(H3639)t2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NbenzylNmethylLvalinamide
ZINC000108450372
ZINC108450372
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.