Vitas-M small molecule compound

N~2~-{3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)propanoyl}-L-isoleucinamide

Catalog ID
STL552203
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@@H]([C@H](CC)C)C(=O)N

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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 C34H44N2O8 MW 608.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N2O8/c1-5-20(2)31(33(35)41)36-28(39)19-26(22-14-16-25(43-4)17-15-22)30-27(38)18-23-11-7-6-8-12-24(37)13-9-10-21(3)44-34(42)29(23)32(30)40/h7,11,14-18,20-21,26,31,38,40H,5-6,8-10,12-13,19H2,1-4H3,(H2,35,41)(H,36,39)/b11-7+/t20-,21-,26?,31-/m
InChIKey
RGHWWCSDBRTEDT-YNTUSFOGSA-N
Synonyms

(2~(S)3~(S))2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanoyl)amino)3methylpentanamide
(2S3S)2(3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamido)3methylpentanamide
135640478
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@@H)((C@H)(CC)C)C(=O)N
InChI=1SC34H44N2O8c1520(2)31(33(35)41)3628(39)1926(22141625(434)171522)3027(38)1823117681224(37)1391021(3)4434(42)29(23)32(30)40h7111418202126313840H56810121319H214H3(H23541)(H3639)b117+t202126?31m0s1
N~2~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)Lisoleucinamide
ZINC001772493029
ZINC001772493030

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Available files

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