Vitas-M small molecule compound

4-[(S-benzyl-N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-cysteinyl)amino]butanoic acid

Catalog ID
STK601629
SMILES O=C(N[C@H](C(=O)NCCCC(=O)O)CSCc1ccccc1)COc1ccc2c(c1)oc(=O)c1c2cccc1

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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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c32-26(16-37-20-12-13-22-21-9-4-5-10-23(21)29(36)38-25(22)15-20)31-24(28(35)30-14-6-11-27(33)34)18-39-17-19-7-2-1-3-8-19/h1-5,7-10,12-13,15,24H,6,11,14,16-18H2,(H,30,35)(H,31,32)(H,33,34)/t24-/m0/s1
InChIKey
JPULEJZUQYHWJT-DEOSSOPVSA-N
Synonyms
1014083-77-2
(R)4(3(benzylthio)2(2((6oxo6Hbenzo(c)chromen3yl)oxy)acetamido)propanamido)butanoicacid
1014083772
4(((2R)3benzylsulfanyl2((2(6oxobenzo(c)chromen3yl)oxyacetyl)amino)propanoyl)amino)butanoicacid
4((SbenzylN(((6oxo6Hbenzo(c)chromen3yl)oxy)acetyl)Lcysteinyl)amino)butanoicacid
C1=CC=C(C=C1)CSCC(C(=O)NCCCC(=O)O)NC(=O)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3
InChI=1SC29H28N2O7Sc3226(163720121322219451023(21)29(36)3825(22)1520)3124(28(35)301461127(33)34)183917197213819h1571012131524H611141618H2(H3035)(H3132)(H3334)t24m0s1
MFCD08286093
O=C(N(C@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1)COc1ccc2c(c1)oc(=O)c1c2cccc1
ZINC000101404705
ZINC101404705

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Available files

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