Vitas-M small molecule compound

(Z)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2(3H)-ylidene]-L-isoleucinamide

Catalog ID
STL551534
SMILES CC[C@H]([C@@H](C(=O)/N=c/1\scc([nH]1)c1ccc2c(c1)OCCCO2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C39H44N4O8S MW 728.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44N4O8S/c1-7-21(2)35(38(46)43-39-42-29(20-52-39)23-10-14-31-32(17-23)51-16-8-15-50-31)41-28-13-11-25-26(19-30(28)45)27(40-22(3)44)12-9-24-18-33(47-4)36(48-5)37(49-6)34(24)25/h10-11,13-14,17-21,27,35H,7-9,12,15-16H2,1-6H3,(H,40,44)(H,41,45)(H,
InChIKey
DLWLXVGIUZYCLO-CGKUCKGESA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(34dihydro2~(H)15benzodioxepin7yl)13thiazol2yl)3methylpentanamide
(Z)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(34dihydro2H15benzodioxepin7yl)13thiazol2(3H)ylidene)Lisoleucinamide
127252752
InChI=1SC39H44N4O8Sc1721(2)35(38(46)43394229(205239)2310143132(1723)51168155031)412813112526(1930(28)45)27(4022(3)44)129241833(474)36(485)37(496)34(24)25h1011131417212735H79121516H216H3(H4044)(H4145)(H424346)t2127+35+m1s1
ZINC000604404159
ZINC604404159

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Available files

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