Vitas-M small molecule compound

propan-2-yl N-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]tryptophanate

Catalog ID
STL540891
SMILES CC(OC(=O)C(Cc1c[nH]c2c1cccc2)NC=C1C(=O)N(C)C(=O)N(C1=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 C21H24N4O5 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5/c1-12(2)30-20(28)17(9-13-10-22-16-8-6-5-7-14(13)16)23-11-15-18(26)24(3)21(29)25(4)19(15)27/h5-8,10-12,17,22-23H,9H2,1-4H3
InChIKey
MZTPBYQORQYVLB-UHFFFAOYSA-N
Synonyms

CC(OC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)N(C)C(=O)N(C1=O)C)C
InChI=1SC21H24N4O5c112(2)3020(28)17(913102216865714(13)16)23111518(26)24(3)21(29)25(4)19(15)27h581012172223H9H214H3
isopropyl2(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3(1Hindol3yl)propanoate
MFCD04142657
propan2ylN((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)tryptophanate
ZINC000005789802
ZINC000005789804

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Available files

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