Vitas-M small molecule compound
3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Catalog ID
STL298359
SMILES O=C(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)[N+](=O)[O-])CCNC(=O)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 C26H20N2O8 MW 488.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O8/c29-24(12-13-27-26(31)35-15-17-4-2-1-3-5-17)36-20-10-11-21-23(14-20)34-16-22(25(21)30)18-6-8-19(9-7-18)28(32)33/h1-11,14,16H,12-13,15H2,(H,27,31)InChIKey
SOBPHIVGPDBYGW-UHFFFAOYSA-NSynonyms
329709-26-4(3(4NITROPHENYL)4OXOCHROMEN7YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
3(4nitrophenyl)4oxo4Hchromen7yl3(((benzyloxy)carbonyl)amino)propanoate
3(4nitrophenyl)4oxo4Hchromen7ylN((benzyloxy)carbonyl)betaalaninate
329709264
C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H20N2O8c2924(12132726(31)3515174213517)362010112123(1420)341622(25(21)30)186819(9718)28(32)33h1111416H121315H2(H2731)
MFCD01563228
O=C(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)(N+)(=O)(O))CCNC(=O)OCc1ccccc1
ZINC000008743409
ZINC08743409
ZINC8743409
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