Vitas-M small molecule compound

3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-1-(2,5-dimethylbenzyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one

Catalog ID
STK273093
SMILES O=C(CC1(O)c2cc(Br)ccc2N(C1=O)Cc1cc(C)ccc1C)/C=C/c1ccc2c(c1)OCO2

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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 C28H24BrNO5 MW 534.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrNO5/c1-17-3-4-18(2)20(11-17)15-30-24-9-7-21(29)13-23(24)28(33,27(30)32)14-22(31)8-5-19-6-10-25-26(12-19)35-16-34-25/h3-13,33H,14-16H2,1-2H3/b8-5+
InChIKey
RLCCQGMMLAAEAK-VMPITWQZSA-N
Synonyms

3((3E)4(13benzodioxol5yl)2oxobut3en1yl)5bromo1(25dimethylbenzyl)3hydroxy13dihydro2Hindol2one
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO1((25DIMETHYLPHENYL)METHYL)3HYDROXYINDOL2ONE
CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC5=C(C=C4)OCO5)O
InChI=1SC28H24BrNO5c1173418(2)20(1117)1530249721(29)1323(24)28(3327(30)32)1422(31)85196102526(1219)35163425h31333H1416H212H3b85+
MFCD05661447
O=C(CC1(O)c2cc(Br)ccc2N(C1=O)Cc1cc(C)ccc1C)C=Cc1ccc2c(c1)OCO2
ZINC000097962081
ZINC000097962082

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Available files

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