Vitas-M small molecule compound

N-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-methionine

Catalog ID
STK605789
SMILES CSCC[C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1c(O)nc2c(c1=O)cccc2

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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-30-11-10-17(20(27)28)22-18(25)14-8-6-13(7-9-14)12-24-19(26)15-4-2-3-5-16(15)23-21(24)29/h2-5,13-14,17H,6-12H2,1H3,(H,22,25)(H,23,29)(H,27,28)/t13?,14?,17-/m0/s1
InChIKey
MSCBIGHCTPDBAI-KVULBXGLSA-N
Synonyms
1212543-68-4
(2S)2((4((24dioxo1Hquinazolin3yl)methyl)cyclohexanecarbonyl)amino)4methylsulfanylbutanoicacid
1212543684
CSCC(C@@H)(C(=O)O)NC(=O)C1CCC(CC1)Cn1c(O)nc2c(c1=O)cccc2
CSCCC(C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=O
InChI=1SC21H27N3O5Sc130111017(20(27)28)2218(25)148613(7914)122419(26)15423516(15)2321(24)29h25131417H612H21H3(H2225)(H2329)(H2728)t13?14?17m0s1
MFCD07798268
N((4((2hydroxy4oxoquinazolin3(4H)yl)methyl)cyclohexyl)carbonyl)Lmethionine
ZINC000009266440
ZINC102819703
ZINC9266440

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Available files

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