Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-10-({(2S)-1-[2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL547742
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)N1CCCC1c1ccc(c2c1cccc2)OC)CC(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 C42H49N3O7 MW 707.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H49N3O7/c1-24(2)21-34(42(48)45-20-10-13-35(45)28-16-19-37(49-4)29-12-9-8-11-27(28)29)44-33-18-15-30-31(23-36(33)47)32(43-25(3)46)17-14-26-22-38(50-5)40(51-6)41(52-7)39(26)30/h8-9,11-12,15-16,18-19,22-24,32,34-35H,10,13-14,17,20-21H2,1-7H3,(H,4InChIKey
VXGOEQYYVMTWCR-LPHAKTNPSA-NSynonyms
~(N)((7~(S))123trimethoxy10(((2~(S))1(2(4methoxynaphthalen1yl)pyrrolidin1yl)4methyl1oxopentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541327
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)N1CCCC1c1ccc(c2c1cccc2)OC)CC(C)C
InChI=1SC42H49N3O7c124(2)2134(42(48)4520101335(45)28161937(494)2912981127(28)29)443318153031(2336(33)47)32(4325(3)46)1714262238(505)40(516)41(527)39(26)30h891112151618192224323435H101314172021H217H3(H4346)(H4447)t323435?m0s1
N((7S)123trimethoxy10(((2S)1(2(4methoxynaphthalen1yl)pyrrolidin1yl)4methyl1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586574
ZINC000263586575
Check stock
See real-time availability and sample size for STL547742 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.