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}leucinamide
Catalog ID
STL547346
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2cccc(c2)c2n[nH]c(n2)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
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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/c1-20(2)16-30(38(47)40-25-11-9-10-24(17-25)37-42-36(21(3)4)43-44-37)41-29-15-13-26-27(19-31(29)46)28(39-22(5)45)14-12-23-18-32(48-6)34(49-7)35(50-8)33(23)26/h9-11,13,15,17-21,28,30H,12,14,16H2,1-8H3,(H,39,45)(H,40,47)(H,41,46)(H,42,43,InChIKey
WJTIKZWXSWMEDO-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(3isopropyl1H124triazol5yl)phenyl)4methylpentanamide
122169704
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(3(5propan2yl1~(H)124triazol3yl)phenyl)pentanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc(c2)c2(nH)nc(n2)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC38H46N6O6c120(2)1630(38(47)40251191024(1725)374236(21(3)4)434437)412915132627(1931(29)46)28(3922(5)45)1412231832(486)34(497)35(508)33(23)26h911131517212830H121416H218H3(H3945)(H4047)(H4146)(H424344)
MFCD31756552
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(5(propan2yl)1H124triazol3yl)phenyl)leucinamide
ZINC000263586642
ZINC000409415188
Check stock
See real-time availability and sample size for STL547346 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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