Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-{[2-oxo-2-(thiomorpholin-4-yl)ethyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL542091
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)N2CCSCC2)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 C27H33N3O6S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6S/c1-16(31)29-20-7-5-17-13-23(34-2)26(35-3)27(36-4)25(17)18-6-8-21(22(32)14-19(18)20)28-15-24(33)30-9-11-37-12-10-30/h6,8,13-14,20H,5,7,9-12,15H2,1-4H3,(H,28,32)(H,29,31)/t20-/m0/s1InChIKey
IDEHXXKTERPXLT-FQEVSTJZSA-NSynonyms
1574345-54-2(S)N(123trimethoxy9oxo10((2oxo2thiomorpholinoethyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((2oxo2thiomorpholin4ylethyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574345542
75492163
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)N2CCSCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC27H33N3O6Sc116(31)292075171323(342)26(353)27(364)25(17)186821(22(32)1419(18)20)281524(33)3091137121030h68131420H5791215H214H3(H2832)(H2931)t20m0s1
N((7S)123trimethoxy9oxo10((2oxo2(thiomorpholin4yl)ethyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000096222355
ZINC96222355
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