Vitas-M small molecule compound
4-methyl-7-({(2Z)-2-[3-(morpholin-4-yl)-5-nitro-1-benzofuran-2(3H)-ylidene]ethyl}oxy)-2H-chromen-2-one
Catalog ID
STK793028
SMILES O=c1cc(C)c2c(o1)cc(cc2)OC/C=C/1\Oc2c(C1N1CCOCC1)cc(cc2)[N+](=O)[O-]
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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 C24H22N2O7 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7/c1-15-12-23(27)33-22-14-17(3-4-18(15)22)31-9-6-21-24(25-7-10-30-11-8-25)19-13-16(26(28)29)2-5-20(19)32-21/h2-6,12-14,24H,7-11H2,1H3/b21-6-InChIKey
XSQRMLHBCDBDOT-MPUCSWFWSA-NSynonyms
4methyl7(((2Z)2(3(morpholin4yl)5nitro1benzofuran2(3H)ylidene)ethyl)oxy)2Hchromen2one
4METHYL7((2Z)2(3MORPHOLIN4YL5NITRO3H1BENZOFURAN2YLIDENE)ETHOXY)CHROMEN2ONE
4methyl7(2(3morpholino5nitrobenzofuran2(3H)ylidene)ethoxy)2Hchromen2one
CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C3C(C4=C(O3)C=CC(=C4)(N+)(=O)(O))N5CCOCC5
InChI=1SC24H22N2O7c1151223(27)33221417(3418(15)22)31962124(257103011825)191316(26(28)29)2520(19)3221h26121424H711H21H3b216
MFCD01949009
O=c1cc(C)c2c(o1)cc(cc2)OCC=C1Oc2c(C1N1CCOCC1)cc(cc2)(N+)(=O)(O)
ZINC000009065964
ZINC000019706648
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