Vitas-M small molecule compound
2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4(3H)-one
Catalog ID
STK941403
SMILES Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cn(c2c1cccc2)Cc1ccccc1)c1ccc(cc1)[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 C31H21IN4O3 MW 624.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21IN4O3/c32-23-11-16-28-27(18-23)31(37)35(24-12-14-25(15-13-24)36(38)39)30(33-28)17-10-22-20-34(19-21-6-2-1-3-7-21)29-9-5-4-8-26(22)29/h1-18,20H,19H2/b17-10+InChIKey
NJDRTAXKNHAKNM-LICLKQGHSA-NSynonyms
(E)2(2(1benzyl1Hindol3yl)vinyl)6iodo3(4nitrophenyl)quinazolin4(3H)one
2((E)2(1benzyl1Hindol3yl)ethenyl)6iodo3(4nitrophenyl)quinazolin4(3H)one
2((E)2(1BENZYLINDOL3YL)ETHENYL)6IODO3(4NITROPHENYL)QUINAZOLIN4ONE
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=CC4=NC5=C(C=C(C=C5)I)C(=O)N4C6=CC=C(C=C6)(N+)(=O)(O)
Ic1ccc2c(c1)c(=O)n(c(n2)C=Cc1cn(c2c1cccc2)Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H21IN4O3c322311162827(1823)31(37)35(24121425(151324)36(38)39)30(3328)1710222034(19216213721)29954826(22)29h11820H19H2b1710+
MFCD03296891
ZINC000150411663
ZINC150411663
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