Vitas-M small molecule compound

2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one

Catalog ID
STK285631
SMILES COc1cccc(c1)n1c(/C=C/c2cn(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 C32H24IN3O2 MW 609.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24IN3O2/c1-38-26-11-7-10-25(19-26)36-31(34-29-16-15-24(33)18-28(29)32(36)37)17-14-23-21-35(20-22-8-3-2-4-9-22)30-13-6-5-12-27(23)30/h2-19,21H,20H2,1H3/b17-14+
InChIKey
DYKQPYNXKMYTGW-SAPNQHFASA-N
Synonyms
380547-83-1
(E)2(2(1benzyl1Hindol3yl)vinyl)6iodo3(3methoxyphenyl)quinazolin4(3H)one
2((E)2(1benzyl1Hindol3yl)ethenyl)6iodo3(3methoxyphenyl)quinazolin4(3H)one
2((E)2(1BENZYLINDOL3YL)ETHENYL)6IODO3(3METHOXYPHENYL)QUINAZOLIN4ONE
2(2(1BENZYL1HINDOL3YL)VINYL)6IODO3(3METHOXYPHENYL)4(3H)QUINAZOLINONE
380547831
COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6
COc1cccc(c1)n1c(C=Cc2cn(c3c2cccc3)Cc2ccccc2)nc2c(c1=O)cc(cc2)I
InChI=1SC32H24IN3O2c138261171025(1926)3631(3429161524(33)1828(29)32(36)37)1714232135(20228324922)3013651227(23)30h21921H20H21H3b1714+
MFCD02855433
ZINC000008432579
ZINC08432579
ZINC8432579

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.