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-{3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl}isoleucinamide
Catalog ID
STL548865
SMILES CCC(C(C(=O)Nc1cccc(c1)c1n[nH]c(n1)C(C)C)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 C38H46N6O6 MW 682.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N6O6/c1-9-21(4)33(38(47)40-25-12-10-11-24(17-25)37-42-36(20(2)3)43-44-37)41-29-16-14-26-27(19-30(29)46)28(39-22(5)45)15-13-23-18-31(48-6)34(49-7)35(50-8)32(23)26/h10-12,14,16-21,28,33H,9,13,15H2,1-8H3,(H,39,45)(H,40,47)(H,41,46)(H,42,43,44)InChIKey
WHASQWOEVCPRBD-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(3isopropyl1H124triazol5yl)phenyl)3methylpentanamide
122169714
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3(5propan2yl1~(H)124triazol3yl)phenyl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1cccc(c1)c1(nH)nc(n1)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H46N6O6c1921(4)33(38(47)402512101124(1725)374236(20(2)3)434437)412916142627(1930(29)46)28(3922(5)45)1513231831(486)34(497)35(508)32(23)26h10121416212833H91315H218H3(H3945)(H4047)(H4146)(H424344)
MFCD31756823
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(5(propan2yl)1H124triazol3yl)phenyl)isoleucinamide
ZINC000409415177
ZINC000409415180
Check stock
See real-time availability and sample size for STL548865 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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