Vitas-M small molecule compound
2-[(E)-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STK532398
SMILES COc1ccc(cc1)n1c(/C=C\2/C(=O)N(c3c2cccc3)Cc2ccccc2)nc2c(c1=O)cc(cc2)I
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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 C31H22IN3O3 MW 611.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22IN3O3/c1-38-23-14-12-22(13-15-23)35-29(33-27-16-11-21(32)17-26(27)31(35)37)18-25-24-9-5-6-10-28(24)34(30(25)36)19-20-7-3-2-4-8-20/h2-18H,19H2,1H3/b25-18+InChIKey
XUUFACPDFSTYDK-XIEYBQDHSA-NSynonyms
(E)2((1benzyl2oxoindolin3ylidene)methyl)6iodo3(4methoxyphenyl)quinazolin4(3H)one
2((E)(1benzyl2oxo12dihydro3Hindol3ylidene)methyl)6iodo3(4methoxyphenyl)quinazolin4(3H)one
2((E)(1BENZYL2OXOINDOL3YLIDENE)METHYL)6IODO3(4METHOXYPHENYL)QUINAZOLIN4ONE
COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=C4C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6
COc1ccc(cc1)n1c(C=C2C(=O)N(c3c2cccc3)Cc2ccccc2)nc2c(c1=O)cc(cc2)I
InChI=1SC31H22IN3O3c13823141222(131523)3529(3327161121(32)1726(27)31(35)37)1825249561028(24)34(30(25)36)19207324820h218H19H21H3b2518+
MFCD02998348
ZINC000097966403
ZINC97966403
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