Vitas-M small molecule compound
methyl N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-L-methioninate
Catalog ID
STL544149
SMILES CSCC[C@@H](C(=O)OC)NC(=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 C33H45N3O8S MW 643.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O8S/c1-20(37)35-24-13-11-21-18-28(41-2)31(42-3)32(43-4)30(21)22-12-14-25(27(38)19-23(22)24)34-16-9-7-8-10-29(39)36-26(15-17-45-6)33(40)44-5/h12,14,18-19,24,26H,7-11,13,15-17H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t24-,26-/m0/s1InChIKey
JSXFUXVHAPZKED-AHWVRZQESA-NSynonyms
(S)methyl2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)4(methylthio)butanoate
110207731
CSCC(C@@H)(C(=O)OC)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H45N3O8Sc120(37)35241311211828(412)31(423)32(434)30(21)22121425(27(38)1923(22)24)34169781029(39)3626(1517456)33(40)445h121418192426H711131517H216H3(H3438)(H3537)(H3639)t2426m0s1
methyl(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)4methylsulfanylbutanoate
methylN(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Lmethioninate
ZINC000253407326
ZINC253407326
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.