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-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]propyl}-L-isoleucinamide
Catalog ID
STL549325
SMILES CC[C@H]([C@@H](C(=O)NCCCc1onc(n1)C(C)C)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 C35H47N5O7 MW 649.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H47N5O7/c1-9-20(4)31(35(43)36-16-10-11-29-39-34(19(2)3)40-47-29)38-26-15-13-23-24(18-27(26)42)25(37-21(5)41)14-12-22-17-28(44-6)32(45-7)33(46-8)30(22)23/h13,15,17-20,25,31H,9-12,14,16H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)/t20-,25+,31+/m1/s1InChIKey
RGEKKADMKVMONW-IBZKQJHLSA-NSynonyms
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3(3propan2yl124oxadiazol5yl)propyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(3isopropyl124oxadiazol5yl)propyl)3methylpentanamide
127253635
CC(C@H)((C@@H)(C(=O)NCCCc1onc(n1)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H47N5O7c1920(4)31(35(43)36161011293934(19(2)3)404729)382615132324(1827(26)42)25(3721(5)41)1412221728(446)32(457)33(468)30(22)23h131517202531H9121416H218H3(H3643)(H3741)(H3842)t2025+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(3(propan2yl)124oxadiazol5yl)propyl)Lisoleucinamide
ZINC000604404723
ZINC604404723
Check stock
See real-time availability and sample size for STL549325 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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