Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl-L-alaninate
Catalog ID
STL542676
SMILES COC(=O)[C@@H](NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C28H35N3O8 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O8/c1-14(27(34)30-15(2)28(35)39-7)29-21-11-9-18-19(13-22(21)33)20(31-16(3)32)10-8-17-12-23(36-4)25(37-5)26(38-6)24(17)18/h9,11-15,20H,8,10H2,1-7H3,(H,29,33)(H,30,34)(H,31,32)/t14-,15-,20-/m0/s1InChIKey
ICGLAKOJZQQRAY-AVYPCKFXSA-NSynonyms
(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)propanoate
110206619
COC(=O)(C@@H)(NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C)C
InChI=1SC28H35N3O8c114(27(34)3015(2)28(35)397)29211191819(1322(21)33)20(3116(3)32)108171223(364)25(375)26(386)24(17)18h9111520H810H217H3(H2933)(H3034)(H3132)t141520m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LalanylLalaninate
ZINC000253405114
ZINC253405114
Check stock
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Check stock on Vitas-MAvailable files
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