Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-4-methyl-1-oxo-1-(thiomorpholin-4-yl)pentan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL542601
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCSCC2)CC(C)C)NC(=O)C)cc(c1OC)OC
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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 C31H41N3O6S MW 583.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O6S/c1-18(2)15-25(31(37)34-11-13-41-14-12-34)33-24-10-8-21-22(17-26(24)36)23(32-19(3)35)9-7-20-16-27(38-4)29(39-5)30(40-6)28(20)21/h8,10,16-18,23,25H,7,9,11-15H2,1-6H3,(H,32,35)(H,33,36)/t23-,25-/m0/s1InChIKey
SEGMNXNGBKJCGJ-ZCYQVOJMSA-NSynonyms
1574391-72-2~(N)((7~(S))123trimethoxy10(((2~(S))4methyl1oxo1thiomorpholin4ylpentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574391722
75491918
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCSCC2)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H41N3O6Sc118(2)1525(31(37)34111341141234)33241082122(1726(24)36)23(3219(3)35)97201627(384)29(395)30(406)28(20)21h81016182325H791115H216H3(H3235)(H3336)t2325m0s1
N((7S)123trimethoxy10(((2S)4methyl1oxo1(thiomorpholin4yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)4methyl1oxo1thiomorpholinopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108449845
ZINC108449845
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.