Vitas-M small molecule compound

2-oxo-4-propyl-2H-chromen-7-yl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate

Catalog ID
STK573873
SMILES CCCc1cc(=O)oc2c1ccc(c2)OC(=O)[C@@H](NC(=O)OC(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 C27H31NO6S MW 497.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6S/c1-5-9-19-14-24(29)33-23-15-20(12-13-21(19)23)32-25(30)22(28-26(31)34-27(2,3)4)17-35-16-18-10-7-6-8-11-18/h6-8,10-15,22H,5,9,16-17H2,1-4H3,(H,28,31)/t22-/m0/s1
InChIKey
JBIALFLQWYDSJB-QFIPXVFZSA-N
Synonyms
1014044-46-2
(2oxo4propylchromen7yl)(2R)3benzylsulfanyl2((2methylpropan2yl)oxycarbonylamino)propanoate
(R)2oxo4propyl2Hchromen7yl3(benzylthio)2((tertbutoxycarbonyl)amino)propanoate
1014044462
2oxo4propyl2Hchromen7ylSbenzylN(tertbutoxycarbonyl)Lcysteinate
CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CSCC3=CC=CC=C3)NC(=O)OC(C)(C)C
CCCc1cc(=O)oc2c1ccc(c2)OC(=O)(C@@H)(NC(=O)OC(C)(C)C)CSCc1ccccc1
InChI=1SC27H31NO6Sc159191424(29)33231520(121321(19)23)3225(30)22(2826(31)3427(23)4)17351618107681118h68101522H591617H214H3(H2831)t22m0s1
MFCD18245493
ZINC000013557045
ZINC13557045

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Available files

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