Vitas-M small molecule compound
N-[(7S)-10-({(2S)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL546893
SMILES COc1ccc(c(c1)OC)C1CCCN1C(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
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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 C38H47N3O8 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O8/c1-21(2)35(38(44)41-17-9-10-30(41)26-13-12-24(45-4)19-32(26)46-5)40-29-16-14-25-27(20-31(29)43)28(39-22(3)42)15-11-23-18-33(47-6)36(48-7)37(49-8)34(23)25/h12-14,16,18-21,28,30,35H,9-11,15,17H2,1-8H3,(H,39,42)(H,40,43)/t28-,30?,35-/m0/sInChIKey
DPQDMWWGPMGCIB-BEVWMFJVSA-NSynonyms
~(N)((7~(S))10(((2~(S))1(2(24dimethoxyphenyl)pyrrolidin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541095
COc1ccc(c(c1)OC)C1CCCN1C(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H47N3O8c121(2)35(38(44)411791030(41)26131224(454)1932(26)465)402916142527(2031(29)43)28(3922(3)42)1511231833(476)36(487)37(498)34(23)25h1214161821283035H9111517H218H3(H3942)(H4043)t2830?35m0s1
N((7S)10(((2S)1(2(24dimethoxyphenyl)pyrrolidin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585052
ZINC000263585053
Check stock
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Check stock on Vitas-MAvailable files
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