Vitas-M small molecule compound

methyl N-({[(4-hydroxyquinazolin-2-yl)methyl]sulfanyl}acetyl)-L-alaninate

Catalog ID
STK933490
SMILES COC(=O)[C@@H](NC(=O)CSCc1nc(O)c2c(n1)cccc2)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 C15H17N3O4S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O4S/c1-9(15(21)22-2)16-13(19)8-23-7-12-17-11-6-4-3-5-10(11)14(20)18-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)/t9-/m0/s1
InChIKey
XRAOQHGNYXVZPF-VIFPVBQESA-N
Synonyms
1212368-60-9
1212368609
CC(C(=O)OC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1
COC(=O)(C@@H)(NC(=O)CSCc1nc(O)c2c(n1)cccc2)C
InChI=1SC15H17N3O4Sc19(15(21)222)1613(19)8237121711643510(11)14(20)1812h369H78H212H3(H1619)(H171820)t9m0s1
methyl(2S)2((2((4oxo1Hquinazolin2yl)methylsulfanyl)acetyl)amino)propanoate
methylN((((4hydroxyquinazolin2yl)methyl)sulfanyl)acetyl)Lalaninate
MFCD18177523
ZINC000036357145
ZINC36357145

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Available files

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