Vitas-M small molecule compound
methyl N-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)-beta-alaninate
Catalog ID
STL544557
SMILES COC(=O)CCNC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-17(33)32-21-10-8-18-15-24(37-2)28(39-4)29(40-5)27(18)19-9-11-22(23(34)16-20(19)21)30-13-6-7-25(35)31-14-12-26(36)38-3/h9,11,15-16,21H,6-8,10,12-14H2,1-5H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1InChIKey
QFFPPBIRNHPCFS-NRFANRHFSA-NSynonyms
(S)methyl3(4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)propanoate
110206684
COC(=O)CCNC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H37N3O8c117(33)3221108181524(372)28(394)29(405)27(18)1991122(23(34)1620(19)21)30136725(35)31141226(36)383h911151621H68101214H215H3(H3034)(H3135)(H3233)t21m0s1
methyl3(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)propanoate
methylN(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)betaalaninate
ZINC000253412213
ZINC253412213
Check stock
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Check stock on Vitas-MAvailable files
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