Vitas-M small molecule compound

methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-leucinate

Catalog ID
STL544480
SMILES COC(=O)[C@@H](NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C33H45N3O8 MW 611.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O8/c1-17(2)14-25(33(40)44-9)36-32(39)29(18(3)4)35-24-13-11-21-22(16-26(24)38)23(34-19(5)37)12-10-20-15-27(41-6)30(42-7)31(43-8)28(20)21/h11,13,15-18,23,25,29H,10,12,14H2,1-9H3,(H,34,37)(H,35,38)(H,36,39)/t23-,25-,29-/m0/s1
InChIKey
RHAZACXTWWNJLS-KULFAVDPSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)4methylpentanoate
110206232
COC(=O)(C@@H)(NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC33H45N3O8c117(2)1425(33(40)449)3632(39)29(18(3)4)352413112122(1626(24)38)23(3419(5)37)1210201527(416)30(427)31(438)28(20)21h11131518232529H101214H219H3(H3437)(H3538)(H3639)t232529m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)4methylpentanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLleucinate
ZINC000253412532
ZINC253412532

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.