Vitas-M small molecule compound
N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycyl-L-isoleucine
Catalog ID
STL544902
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)CNc1ccc2c(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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-7-15(2)26(29(36)37)32-24(35)14-30-21-11-9-18-19(13-22(21)34)20(31-16(3)33)10-8-17-12-23(38-4)27(39-5)28(40-6)25(17)18/h9,11-13,15,20,26H,7-8,10,14H2,1-6H3,(H,30,34)(H,31,33)(H,32,35)(H,36,37)/t15-,20+,26+/m1/s1InChIKey
YMRLRSPOFGXOTO-RZMRESFYSA-NSynonyms
(2~(S)3~(R))2((2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamido)3methylpentanoicacid
100000402
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC29H37N3O8c1715(2)26(29(36)37)3224(35)1430211191819(1322(21)34)20(3116(3)33)108171223(384)27(395)28(406)25(17)18h91113152026H781014H216H3(H3034)(H3133)(H3235)(H3637)t1520+26+m1s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycylLisoleucine
ZINC000218005836
ZINC218005836
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.