Vitas-M small molecule compound
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Catalog ID
STK700978
SMILES O=C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)[N+](=O)[O-])C)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 C27H22N2O8 MW 502.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O8/c1-17-25(19-7-9-20(10-8-19)29(33)34)26(31)22-12-11-21(15-23(22)36-17)37-24(30)13-14-28-27(32)35-16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,28,32)InChIKey
HHDDGJYPMDWIKK-UHFFFAOYSA-NSynonyms
329709-19-5(2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
2methyl3(4nitrophenyl)4oxo4Hchromen7yl3(((benzyloxy)carbonyl)amino)propanoate
2methyl3(4nitrophenyl)4oxo4Hchromen7ylN((benzyloxy)carbonyl)betaalaninate
329709195
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC27H22N2O8c11725(197920(10819)29(33)34)26(31)22121121(1523(22)3617)3724(30)13142827(32)3516185324618h21215H131416H21H3(H2832)
MFCD01563984
O=C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)(N+)(=O)(O))C)CCNC(=O)OCc1ccccc1
ZINC000008742638
ZINC08742638
ZINC8742638
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