Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-4H-1,2,4-triazol-3-ylisoleucinamide
Catalog ID
STL550784
SMILES CCC(C(C(=O)Nc1nnc[nH]1)Nc1ccc2c(cc1=O)C(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 C29H36N6O6 MW 564.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N6O6/c1-7-15(2)25(28(38)34-29-30-14-31-35-29)33-21-11-9-18-19(13-22(21)37)20(32-16(3)36)10-8-17-12-23(39-4)26(40-5)27(41-6)24(17)18/h9,11-15,20,25H,7-8,10H2,1-6H3,(H,32,36)(H,33,37)(H2,30,31,34,35,38)InChIKey
UXUHKJJGGWYSQO-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1H124triazol3yl)pentanamide
132286134
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1~(H)124triazol5yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)cn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC29H36N6O6c1715(2)25(28(38)34293014313529)33211191819(1322(21)37)20(3216(3)36)108171223(394)26(405)27(416)24(17)18h911152025H7810H216H3(H3236)(H3337)(H23031343538)
MFCD31757774
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N4H124triazol3ylisoleucinamide
ZINC000888089647
ZINC000888089650
Check stock
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Check stock on Vitas-MAvailable files
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