Vitas-M small molecule compound
N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-L-phenylalanyl-D-leucyl-L-arginine
Catalog ID
STL528836
SMILES CC(C[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2)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 C40H46N6O11 MW 786.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46N6O11/c1-22(2)15-28(37(50)45-27(39(52)53)9-6-12-43-40(41)42)46-38(51)29(16-23-7-4-3-5-8-23)44-34(48)21-56-25-18-30(47)35-33(19-25)57-20-26(36(35)49)24-10-11-31-32(17-24)55-14-13-54-31/h3-5,7-8,10-11,17-20,22,27-29,47H,6,9,12-16,21H2,1-2H3,(InChIKey
KRVIIMWSCXORIQ-NHKHRBQYSA-NSynonyms
1173674-68-4(2~(S))5(diaminomethylideneamino)2(((2~(R))2(((2~(S))2((2(3(23dihydro14benzodioxin6yl)5hydroxy4oxochromen7yl)oxyacetyl)amino)3phenylpropanoyl)amino)4methylpentanoyl)amino)pentanoicacid
(S)2((R)2((S)2(2((3(23DIHYDROBENZO(B)(14)DIOXIN6YL)5HYDROXY4OXO4HCHROMEN7YL)OXY)ACETAMIDO)3PHENYLPROPANAMIDO)4METHYLPENTANAMIDO)5GUANIDINOPENTANOICACID
1173674684
16397724
CC(C(C@H)(C(=O)N(C@H)(C(=O)O)CCCNC(=N)N)NC(=O)(C@H)(Cc1ccccc1)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2)C
InChI=1SC40H46N6O11c122(2)1528(37(50)4527(39(52)53)96124340(41)42)4638(51)29(16237435823)4434(48)2156251830(47)3533(1925)572026(36(35)49)2410113132(1724)5514135431h35781011172022272947H69121621H212H3(H4448)(H4550)(H4651)(H5253)(H4414243)t2728+29m0s1
N(((3(23dihydro14benzodioxin6yl)5hydroxy4oxo4Hchromen7yl)oxy)acetyl)LphenylalanylDleucylLarginine
ZINC000085893593
ZINC85893593
Check stock
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