Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-{[(3R)-2-oxoazepan-3-yl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL526486
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@@H]2CCCCNC2=O)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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-15(31)29-19-10-8-16-13-23(34-2)25(35-3)26(36-4)24(16)17-9-11-20(22(32)14-18(17)19)30-21-7-5-6-12-28-27(21)33/h9,11,13-14,19,21H,5-8,10,12H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t19-,21+/m0/s1InChIKey
VWLKMUQBTGHUGM-PZJWPPBQSA-NSynonyms
957001-64-8~(N)((7~(S))123trimethoxy9oxo10(((3~(R))2oxoazepan3yl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
16397312
957001648
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@@H)2CCCCNC2=O)NC(=O)C)cc(c1OC)OC
InChI=1SC27H33N3O6c115(31)2919108161323(342)25(353)26(364)24(16)1791120(22(32)1418(17)19)3021756122827(21)33h91113141921H581012H214H3(H2833)(H2931)(H3032)t1921+m0s1
MFCD02925866
N((7S)123trimethoxy9oxo10(((3R)2oxoazepan3yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy9oxo10(((R)2oxoazepan3yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000012660357
ZINC12660357
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