Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-cyclohexylbutanamide
Catalog ID
STL542504
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC2CCCCC2)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 C31H41N3O6 MW 551.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O6/c1-19(35)33-24-14-12-20-17-27(38-2)30(39-3)31(40-4)29(20)22-13-15-25(26(36)18-23(22)24)32-16-8-11-28(37)34-21-9-6-5-7-10-21/h13,15,17-18,21,24H,5-12,14,16H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t24-/m0/s1InChIKey
XUFVCDGDRUEXMX-DEOSSOPVSA-NSynonyms
1574355-57-9(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclohexylbutanamide
1574355579
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclohexylbutanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclohexylbutanamide
75492132
InChI=1SC31H41N3O6c119(35)33241412201727(382)30(393)31(404)29(20)22131525(26(36)1823(22)24)321681128(37)342196571021h131517182124H5121416H214H3(H3236)(H3335)(H3437)t24m0s1
ZINC000108450346
ZINC108450346
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