Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methyl-1H-pyrazol-5-yl)isoleucinamide
Catalog ID
STL551458
SMILES CCC(C(C(=O)Nc1[nH]nc(c1)C)Nc1ccc2c(cc1=O)C(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 C31H39N5O6 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6/c1-8-16(2)28(31(39)34-26-13-17(3)35-36-26)33-23-12-10-20-21(15-24(23)38)22(32-18(4)37)11-9-19-14-25(40-5)29(41-6)30(42-7)27(19)20/h10,12-16,22,28H,8-9,11H2,1-7H3,(H,32,37)(H,33,38)(H2,34,35,36,39)InChIKey
INVVPESZTWYZFN-UHFFFAOYSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(5methyl1Hpyrazol3yl)pentanamide
132286240
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5methyl1~(H)pyrazol3yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(c1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H39N5O6c1816(2)28(31(39)34261317(3)353626)332312102021(1524(23)38)22(3218(4)37)119191425(405)29(416)30(427)27(19)20h1012162228H8911H217H3(H3237)(H3338)(H234353639)
MFCD31758148
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3methyl1Hpyrazol5yl)isoleucinamide
ZINC000952961521
ZINC000952961524
Check stock
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Check stock on Vitas-MAvailable files
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