Vitas-M small molecule compound

2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate

Catalog ID
STL298349
SMILES O=C(NC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)[N+](=O)[O-])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 C27H22N2O8 MW 502.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O8/c1-16(28-27(32)35-15-18-6-4-3-5-7-18)26(31)37-21-12-13-22-23(14-21)36-17(2)24(25(22)30)19-8-10-20(11-9-19)29(33)34/h3-14,16H,15H2,1-2H3,(H,28,32)
InChIKey
DZUIYBLJFPYHFE-UHFFFAOYSA-N
Synonyms
1396995-97-3
(2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL)2(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
1396995973
2METHYL3(4NITROPHENYL)4OXO4HCHROMEN7YL2(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
2methyl3(4nitrophenyl)4oxo4Hchromen7ylN((benzyloxy)carbonyl)alaninate
2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL2((PHENYLMETHOXY)CARBONYLAMINO)PROPANOATE
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC27H22N2O8c116(2827(32)3515186435718)26(31)372112132223(1421)3617(2)24(25(22)30)1981020(11919)29(33)34h31416H15H212H3(H2832)
MFCD01560555
O=C(NC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)(N+)(=O)(O))C)C)OCc1ccccc1
ZINC000001050492
ZINC000001050494

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Available files

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