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-pyrazol-4-yl)-L-valinamide

Catalog ID
STL540904
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cnn(c2)C)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 C30H37N5O6 MW 563.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O6/c1-16(2)27(30(38)33-19-14-31-35(4)15-19)34-23-11-9-20-21(13-24(23)37)22(32-17(3)36)10-8-18-12-25(39-5)28(40-6)29(41-7)26(18)20/h9,11-16,22,27H,8,10H2,1-7H3,(H,32,36)(H,33,38)(H,34,37)/t22-,27-/m0/s1
InChIKey
YMPPTGOPNSUSIE-CUNXSJBXSA-N
Synonyms
1574338-77-4
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1methylpyrazol4yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1methyl1Hpyrazol4yl)butanamide
1574338774
75491691
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cnn(c2)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC30H37N5O6c116(2)27(30(38)3319143135(4)1519)34231192021(1324(23)37)22(3217(3)36)108181225(395)28(406)29(417)26(18)20h911162227H810H217H3(H3236)(H3338)(H3437)t2227m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hpyrazol4yl)Lvalinamide
ZINC000108449267
ZINC108449267

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.