Vitas-M small molecule compound

S-benzyl-N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-cysteinyl-L-valine

Catalog ID
STL533207
SMILES O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)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 C27H29ClN2O7S MW 561.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O7S/c1-14(2)24(26(34)35)30-25(33)20(13-38-12-16-7-5-4-6-8-16)29-23(32)10-18-15(3)17-9-19(28)21(31)11-22(17)37-27(18)36/h4-9,11,14,20,24,31H,10,12-13H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,24-/m0/s1
InChIKey
TXLGQPKGHNEHOT-RDPSFJRHSA-N
Synonyms
956947-29-8
(2~(S))2(((2~(R))3benzylsulfanyl2((2(6chloro7hydroxy4methyl2oxochromen3yl)acetyl)amino)propanoyl)amino)3methylbutanoicacid
(S)2((R)3(BENZYLTHIO)2(2(6CHLORO7HYDROXY4METHYL2OXO2HCHROMEN3YL)ACETAMIDO)PROPANAMIDO)3METHYLBUTANOICACID
16406067
956947298
InChI=1SC27H29ClN2O7Sc114(2)24(26(34)35)3025(33)20(133812167546816)2923(32)101815(3)17919(28)21(31)1122(17)3727(18)36h491114202431H101213H213H3(H2932)(H3033)(H3435)t2024m0s1
O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N(C@H)(C(=O)N(C@H)(C(=O)O)C(C)C)CSCc1ccccc1
SbenzylN((6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)LcysteinylLvaline
ZINC000070706805
ZINC70706805

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Available files

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