Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-L-isoleucinamide

Catalog ID
STL548765
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C36H43N5O7 MW 657.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O7/c1-9-19(2)32(35(44)38-22-11-15-27-28(17-22)41(5)36(45)40(27)4)39-26-14-12-23-24(18-29(26)43)25(37-20(3)42)13-10-21-16-30(46-6)33(47-7)34(48-8)31(21)23/h11-12,14-19,25,32H,9-10,13H2,1-8H3,(H,37,42)(H,38,44)(H,39,43)/t19-,25+,32+/m1/s1
InChIKey
BBKZAHLVFSDUEW-RNUBLEDQSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13dimethyl2oxobenzimidazol5yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)3methylpentanamide
121542230
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H43N5O7c1919(2)32(35(44)382211152728(1722)41(5)36(45)40(27)4)392614122324(1829(26)43)25(3720(3)42)1310211630(466)33(477)34(488)31(21)23h111214192532H91013H218H3(H3742)(H3844)(H3943)t1925+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)Lisoleucinamide
ZINC000263584813
ZINC263584813

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Available files

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