Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-alaninate

Catalog ID
STK716831
SMILES O=C(N[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)OCc1ccccc1

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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 C30H27NO8 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO8/c1-18(31-30(34)37-17-20-7-4-3-5-8-20)29(33)39-22-10-11-23-25(16-22)38-19(2)27(28(23)32)21-9-12-24-26(15-21)36-14-6-13-35-24/h3-5,7-12,15-16,18H,6,13-14,17H2,1-2H3,(H,31,34)/t18-/m0/s1
InChIKey
HLZKODDTKDUHJB-SFHVURJKSA-N
Synonyms

(3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXOCHROMEN7YL)(2S)2(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7ylN((benzyloxy)carbonyl)Lalaninate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl2(((benzyloxy)carbonyl)amino)propanoate
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC30H27NO8c118(3130(34)3717207435820)29(33)392210112325(1622)3819(2)27(28(23)32)219122426(1521)36146133524h35712151618H6131417H212H3(H3134)t18m0s1
MFCD13371542
O=C(N(C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)OCc1ccccc1
O=C(NC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)OCc1ccccc1
ZINC000002362667
ZINC2362667

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Available files

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