Vitas-M small molecule compound
4-({S-benzyl-N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-cysteinyl}amino)butanoic acid
Catalog ID
STL529863
SMILES COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)N[C@H](C(=O)NCCCC(=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 C28H32N2O8S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O8S/c1-17-19-12-23(36-2)24(37-3)14-22(19)38-28(35)20(17)13-25(31)30-21(27(34)29-11-7-10-26(32)33)16-39-15-18-8-5-4-6-9-18/h4-6,8-9,12,14,21H,7,10-11,13,15-16H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t21-/m0/s1InChIKey
ITEBTKNFUQBRHD-NRFANRHFSA-NSynonyms
956980-81-7(R)4(3(BENZYLTHIO)2(2(67DIMETHOXY4METHYL2OXO2HCHROMEN3YL)ACETAMIDO)PROPANAMIDO)BUTANOICACID
16405776
4(((2~(R))3benzylsulfanyl2((2(67dimethoxy4methyl2oxochromen3yl)acetyl)amino)propanoyl)amino)butanoicacid
4((SbenzylN((67dimethoxy4methyl2oxo2Hchromen3yl)acetyl)Lcysteinyl)amino)butanoicacid
956980817
COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)N(C@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1
InChI=1SC28H32N2O8Sc117191223(362)24(373)1422(19)3828(35)20(17)1325(31)3021(27(34)291171026(32)33)163915188546918h4689121421H71011131516H213H3(H2934)(H3031)(H3233)t21m0s1
ZINC000070705661
ZINC70705661
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