Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1-[2-methyl-5-(propan-2-yl)benzyl]-1,3-dihydro-2H-indol-2-one
Catalog ID
STK272964
SMILES O=C(CC1(O)C(=O)N(c2c1cc(Br)cc2)Cc1cc(ccc1C)C(C)C)/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 C30H28BrNO5 MW 562.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrNO5/c1-18(2)21-7-4-19(3)22(13-21)16-32-26-10-8-23(31)14-25(26)30(35,29(32)34)15-24(33)9-5-20-6-11-27-28(12-20)37-17-36-27/h4-14,18,35H,15-17H2,1-3H3/b9-5+InChIKey
WRMCJEYPDWILPK-WEVVVXLNSA-NSynonyms
3((3E)4(13benzodioxol5yl)2oxobut3en1yl)5bromo3hydroxy1(2methyl5(propan2yl)benzyl)13dihydro2Hindol2one
3((3E)4(2HBENZO(34D)13DIOXOLEN5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1((2METHYL5(METHYLETHYL)PHENYL)METHYL)INDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1((2METHYL5PROPAN2YLPHENYL)METHYL)INDOL2ONE
CC1=C(C=C(C=C1)C(C)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC5=C(C=C4)OCO5)O
InChI=1SC30H28BrNO5c118(2)217419(3)22(1321)16322610823(31)1425(26)30(3529(32)34)1524(33)95206112728(1220)37173627h4141835H1517H213H3b95+
MFCD05661487
O=C(CC1(O)C(=O)N(c2c1cc(Br)cc2)Cc1cc(ccc1C)C(C)C)C=Cc1ccc2c(c1)OCO2
ZINC000097962078
ZINC000097962080
Check stock
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Check stock on Vitas-MAvailable files
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