Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(thiomorpholin-4-yl)butan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL541920
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCSCC2)C(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 C30H39N3O6S MW 569.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O6S/c1-17(2)27(30(36)33-11-13-40-14-12-33)32-23-10-8-20-21(16-24(23)35)22(31-18(3)34)9-7-19-15-25(37-4)28(38-5)29(39-6)26(19)20/h8,10,15-17,22,27H,7,9,11-14H2,1-6H3,(H,31,34)(H,32,35)/t22-,27-/m0/s1InChIKey
WRVNQOQBAGEAIM-CUNXSJBXSA-NSynonyms
1574289-69-2~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1thiomorpholin4ylbutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574289692
75491519
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCSCC2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC30H39N3O6Sc117(2)27(30(36)33111340141233)32231082021(1624(23)35)22(3118(3)34)97191525(374)28(385)29(396)26(19)20h81015172227H791114H216H3(H3134)(H3235)t2227m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(thiomorpholin4yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)3methyl1oxo1thiomorpholinobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108448832
ZINC108448832
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.