Vitas-M small molecule compound

methyl 4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}amino)butanoate

Catalog ID
STL548305
SMILES COC(=O)CCCNC(=O)[C@H]([C@H](CC)C)Nc1ccc2c(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 C32H43N3O8 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8/c1-8-18(2)29(32(39)33-15-9-10-27(38)41-5)35-24-14-12-21-22(17-25(24)37)23(34-19(3)36)13-11-20-16-26(40-4)30(42-6)31(43-7)28(20)21/h12,14,16-18,23,29H,8-11,13,15H2,1-7H3,(H,33,39)(H,34,36)(H,35,37)/t18-,23-,29-/m0/s1
InChIKey
TYXNHOQIRMJPAM-GMXDNTTCSA-N
Synonyms

110207304
COC(=O)CCCNC(=O)(C@H)((C@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H43N3O8c1818(2)29(32(39)331591027(38)415)352414122122(1725(24)37)23(3419(3)36)1311201626(404)30(426)31(437)28(20)21h121416182329H8111315H217H3(H3339)(H3436)(H3537)t182329m0s1
methyl4(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)butanoate
methyl4((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)butanoate
methyl4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)amino)butanoate
ZINC000253413156
ZINC253413156

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Available files

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