Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-methioninate

Catalog ID
STK921325
SMILES CSCC[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C)NC(=O)OC(C)(C)C

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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 C28H31NO8S MW 541.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO8S/c1-16-24(17-6-9-21-23(14-17)34-12-11-33-21)25(30)19-8-7-18(15-22(19)35-16)36-26(31)20(10-13-38-5)29-27(32)37-28(2,3)4/h6-9,14-15,20H,10-13H2,1-5H3,(H,29,32)/t20-/m0/s1
InChIKey
LSQQSYOPAOFVGY-FQEVSTJZSA-N
Synonyms
262428-33-1
(3(23DIHYDRO14BENZODIOXIN6YL)2METHYL4OXOCHROMEN7YL)(2S)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)4METHYLSULFANYLBUTANOATE
(S)3(23dihydrobenzo(b)(14)dioxin6yl)2methyl4oxo4Hchromen7yl2((tertbutoxycarbonyl)amino)4(methylthio)butanoate
262428331
3(23DIHYDRO14BENZODIOXIN6YL)2METHYL4OXO4HCHROMEN7YL(2S)2(((TERTBUTOXY)CARBONYL)AMINO)4(METHYLSULFANYL)BUTANOATE
3(23dihydro14benzodioxin6yl)2methyl4oxo4Hchromen7ylN(tertbutoxycarbonyl)Lmethioninate
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCCO4
CSCC(C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C)NC(=O)OC(C)(C)C
InChI=1SC28H31NO8Sc11624(17692123(1417)3412113321)25(30)198718(1522(19)3516)3626(31)20(1013385)2927(32)3728(23)4h69141520H1013H215H3(H2932)t20m0s1
MFCD02669376
ZINC000002090715
ZINC2090715

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Available files

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