Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-prop-2-en-1-yl-L-valinamide

Catalog ID
STL541254
SMILES C=CCNC(=O)[C@H](C(C)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 C29H37N3O6 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O6/c1-8-13-30-29(35)26(16(2)3)32-22-12-10-19-20(15-23(22)34)21(31-17(4)33)11-9-18-14-24(36-5)27(37-6)28(38-7)25(18)19/h8,10,12,14-16,21,26H,1,9,11,13H2,2-7H3,(H,30,35)(H,31,33)(H,32,34)/t21-,26-/m0/s1
InChIKey
LTUZQAMUEVLRNQ-LVXARBLLSA-N
Synonyms
1574343-35-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)prop2enylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nallyl3methylbutanamide
1574343353
75491455
C=CCNC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H37N3O6c18133029(35)26(16(2)3)322212101920(1523(22)34)21(3117(4)33)119181424(365)27(376)28(387)25(18)19h8101214162126H191113H227H3(H3035)(H3133)(H3234)t2126m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Nprop2en1ylLvalinamide
ZINC000096221416
ZINC96221416

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Available files

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