Vitas-M small molecule compound
tert-butyl [2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}amino)ethyl]carbamate
Catalog ID
STL541605
SMILES CC[C@H]([C@@H](C(=O)NCCNC(=O)OC(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 C34H48N4O8 MW 640.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H48N4O8/c1-10-19(2)29(32(41)35-15-16-36-33(42)46-34(4,5)6)38-25-14-12-22-23(18-26(25)40)24(37-20(3)39)13-11-21-17-27(43-7)30(44-8)31(45-9)28(21)22/h12,14,17-19,24,29H,10-11,13,15-16H2,1-9H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)/t19-,24+,29+/m1/InChIKey
SOYCGMHJGPVWLH-CHNYNYQGSA-NSynonyms
1574390-88-7~(tert)butyl~(N)(2(((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)ethyl)carbamate
1574390887
75491384
CC(C@H)((C@@H)(C(=O)NCCNC(=O)OC(C)(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H48N4O8c11019(2)29(32(41)3515163633(42)4634(45)6)382514122223(1826(25)40)24(3720(3)39)1311211727(437)30(448)31(459)28(21)22h121417192429H1011131516H219H3(H3541)(H3642)(H3739)(H3840)t1924+29+m1s1
tertbutyl(2((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)ethyl)carbamate
tertbutyl(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)amino)ethyl)carbamate
ZINC000108448516
ZINC108448516
Check stock
See real-time availability and sample size for STL541605 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.