Vitas-M small molecule compound
N-[(7S)-10-{[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL540088
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)Cc1ccccc1)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 C38H48N4O6 MW 656.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O6/c1-26(43)40-31-16-14-28-23-34(46-2)37(47-3)38(48-4)36(28)29-15-17-32(33(44)24-30(29)31)39-18-10-6-9-13-35(45)42-21-19-41(20-22-42)25-27-11-7-5-8-12-27/h5,7-8,11-12,15,17,23-24,31H,6,9-10,13-14,16,18-22,25H2,1-4H3,(H,39,44)(H,40,43)/t31InChIKey
CSRHQMYIQOJLST-HKBQPEDESA-NSynonyms
1574347-48-0(S)N(10((6(4benzylpiperazin1yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((6(4benzylpiperazin1yl)6oxohexyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574347480
75491375
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)Cc1ccccc1)NC(=O)C
InChI=1SC38H48N4O6c126(43)40311614282334(462)37(473)38(484)36(28)29151732(33(44)2430(29)31)391810691335(45)42211941(202242)2527117581227h57811121517232431H6910131416182225H214H3(H3944)(H4043)t31m0s1
N((7S)10((6(4benzylpiperazin1yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653195
ZINC150653195
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.