Vitas-M small molecule compound
2-ethoxy-4-{[(2-ethyl-4-oxoquinazolin-3(4H)-yl)imino]methyl}phenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK112045
SMILES CCOc1cc(ccc1OC(=O)c1ccc2c(c1)OCO2)/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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-3-25-29-20-8-6-5-7-19(20)26(31)30(25)28-15-17-9-11-22(23(13-17)33-4-2)36-27(32)18-10-12-21-24(14-18)35-16-34-21/h5-15H,3-4,16H2,1-2H3InChIKey
IAZXMSVNABHZKQ-UHFFFAOYSA-NSynonyms
(2ETHOXY4((2ETHYL4OXOQUINAZOLIN3YL)IMINOMETHYL)PHENYL)13BENZODIOXOLE5CARBOXYLATE
(2ETHOXY4((Z)(2ETHYL4OXOQUINAZOLIN3YL)IMINOMETHYL)PHENYL)13BENZODIOXOLE5CARBOXYLATE
2ETHOXY4(((2ETHYL4OXOQUINAZOLIN3(4H)YL)IMINO)METHYL)PHENYL13BENZODIOXOLE5CARBOXYLATE
CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OCC
CCOc1cc(ccc1OC(=O)c1ccc2c(c1)OCO2)C=Nn1c(CC)nc2c(c1=O)cccc2
InChI=1SC27H23N3O6c13252920865719(20)26(31)30(25)28151791122(23(1317)3342)3627(32)1810122124(1418)35163421h515H3416H212H3
MFCD04127310
ZINC000245253573
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