Vitas-M small molecule compound
4-{(E)-[(2-ethyl-4-oxoquinazolin-3(4H)-yl)imino]methyl}-2-methoxyphenyl (2E)-3-(4-nitrophenyl)prop-2-enoate
Catalog ID
STK116486
SMILES COc1cc(ccc1OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])/C=N/n1c(CC)nc2c(c1=O)cccc2
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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 C27H22N4O6 MW 498.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6/c1-3-25-29-22-7-5-4-6-21(22)27(33)30(25)28-17-19-10-14-23(24(16-19)36-2)37-26(32)15-11-18-8-12-20(13-9-18)31(34)35/h4-17H,3H2,1-2H3/b15-11+,28-17+InChIKey
GYLKOWNMHRCTML-UAKCKOKCSA-NSynonyms
(4((E)(2ethyl4oxoquinazolin3yl)iminomethyl)2methoxyphenyl)(E)3(4nitrophenyl)prop2enoate
4((E)((2ETHYL4OXOQUINAZOLIN3(4H)YL)IMINO)METHYL)2METHOXYPHENYL(2E)3(4NITROPHENYL)PROP2ENOATE
CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OC(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc(ccc1OC(=O)C=Cc1ccc(cc1)(N+)(=O)(O))C=Nn1c(CC)nc2c(c1=O)cccc2
InChI=1SC27H22N4O6c13252922754621(22)27(33)30(25)281719101423(24(1619)362)3726(32)15111881220(13918)31(34)35h417H3H212H3b1511+2817+
MFCD04128435
ZINC000012629125
ZINC96640236
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