Vitas-M small molecule compound
ethyl 4-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)piperazine-1-carboxylate
Catalog ID
STL542341
SMILES CCOC(=O)N1CCN(CC1)C(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C34H46N4O8 MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N4O8/c1-6-46-34(42)38-18-16-37(17-19-38)30(41)10-8-7-9-15-35-27-14-12-24-25(21-28(27)40)26(36-22(2)39)13-11-23-20-29(43-3)32(44-4)33(45-5)31(23)24/h12,14,20-21,26H,6-11,13,15-19H2,1-5H3,(H,35,40)(H,36,39)/t26-/m0/s1InChIKey
XJGUINPRURLQED-SANMLTNESA-NSynonyms
1574377-50-6(S)ethyl4(6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
1574377506
75491182
CCOC(=O)N1CCN(CC1)C(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ethyl4(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
ethyl4(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
InChI=1SC34H46N4O8c164634(42)38181637(171938)30(41)1087915352714122425(2128(27)40)26(3622(2)39)1311232029(433)32(444)33(455)31(23)24h1214202126H611131519H215H3(H3540)(H3639)t26m0s1
ZINC000108447931
ZINC108447931
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.