Vitas-M small molecule compound

6-({S-benzyl-N-[(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-L-cysteinyl}amino)hexanoic acid

Catalog ID
STL532755
SMILES COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N[C@H](C(=O)NCCCCCC(=O)O)CSCc1ccccc1

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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 C30H36N2O7S MW 568.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O7S/c1-19-14-24(38-3)28-20(2)22(30(37)39-25(28)15-19)16-26(33)32-23(18-40-17-21-10-6-4-7-11-21)29(36)31-13-9-5-8-12-27(34)35/h4,6-7,10-11,14-15,23H,5,8-9,12-13,16-18H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t23-/m0/s1
InChIKey
KUBYPGKVDSGDLR-QHCPKHFHSA-N
Synonyms
956927-17-6
(R)6(3(BENZYLTHIO)2(2(5METHOXY47DIMETHYL2OXO2HCHROMEN3YL)ACETAMIDO)PROPANAMIDO)HEXANOICACID
16405810
6(((2~(R))3benzylsulfanyl2((2(5methoxy47dimethyl2oxochromen3yl)acetyl)amino)propanoyl)amino)hexanoicacid
6((SbenzylN((5methoxy47dimethyl2oxo2Hchromen3yl)acetyl)Lcysteinyl)amino)hexanoicacid
956927176
COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N(C@H)(C(=O)NCCCCCC(=O)O)CSCc1ccccc1
InChI=1SC30H36N2O7Sc1191424(383)2820(2)22(30(37)3925(28)1519)1626(33)3223(18401721106471121)29(36)31139581227(34)35h4671011141523H58912131618H213H3(H3136)(H3233)(H3435)t23m0s1
ZINC000070705812
ZINC70705812

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Available files

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