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-[(1-methyl-1H-pyrrol-2-yl)methyl]-L-valinamide
Catalog ID
STL545673
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCc2cccn2C)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C32H40N4O6 MW 576.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N4O6/c1-18(2)29(32(39)33-17-21-9-8-14-36(21)4)35-25-13-11-22-23(16-26(25)38)24(34-19(3)37)12-10-20-15-27(40-5)30(41-6)31(42-7)28(20)22/h8-9,11,13-16,18,24,29H,10,12,17H2,1-7H3,(H,33,39)(H,34,37)(H,35,38)/t24-,29-/m0/s1InChIKey
UWQQQAHXOUOQNJ-OUTSHDOLSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1methylpyrrol2yl)methyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((1methyl1Hpyrrol2yl)methyl)butanamide
110206039
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCc2cccn2C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H40N4O6c118(2)29(32(39)331721981436(21)4)352513112223(1626(25)38)24(3419(3)37)1210201527(405)30(416)31(427)28(20)22h89111316182429H101217H217H3(H3339)(H3437)(H3538)t2429m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Hpyrrol2yl)methyl)Lvalinamide
ZINC000253413483
ZINC253413483
Check stock
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Check stock on Vitas-MAvailable files
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