Vitas-M small molecule compound
ethyl 4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl}piperazine-1-carboxylate
Catalog ID
STL540862
SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@@H](Nc1ccc2c(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 C31H40N4O8 MW 596.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N4O8/c1-7-43-31(39)35-14-12-34(13-15-35)30(38)18(2)32-24-11-9-21-22(17-25(24)37)23(33-19(3)36)10-8-20-16-26(40-4)28(41-5)29(42-6)27(20)21/h9,11,16-18,23H,7-8,10,12-15H2,1-6H3,(H,32,37)(H,33,36)/t18-,23-/m0/s1InChIKey
KLUGXQGRYKRKAG-MBSDFSHPSA-NSynonyms
1574294-36-21574294362
75491367
CCOC(=O)N1CCN(CC1)C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
ethyl4((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)piperazine1carboxylate
ethyl4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanoyl)piperazine1carboxylate
ethyl4(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)piperazine1carboxylate
InChI=1SC31H40N4O8c174331(39)35141234(131535)30(38)18(2)32241192122(1725(24)37)23(3319(3)36)108201626(404)28(415)29(426)27(20)21h911161823H78101215H216H3(H3237)(H3336)t1823m0s1
ZINC000108448468
ZINC108448468
Check stock
See real-time availability and sample size for STL540862 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.