Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-chloro-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214902
SMILES O=C(CC1(O)C(=O)N(c2c1cc(Cl)cc2)Cc1ccc(cc1)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 C27H22ClNO5 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO5/c1-17-2-4-19(5-3-17)15-29-23-10-8-20(28)13-22(23)27(32,26(29)31)14-21(30)9-6-18-7-11-24-25(12-18)34-16-33-24/h2-13,32H,14-16H2,1H3/b9-6+InChIKey
GXRQGPNCRKJRHK-RMKNXTFCSA-NSynonyms
3((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)5CHLORO3HYDROXY1(4METHYLBENZYL)13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)5CHLORO3HYDROXY1((4METHYLPHENYL)METHYL)INDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5CHLORO3HYDROXY1((4METHYLPHENYL)METHYL)INDOL2ONE
3(4(13BENZODIOXOL5YL)2OXO3BUTENYL)5CHLORO3HYDROXY1(4METHYLBENZYL)13DIHYDRO2HINDOL2ONE
CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(C2=O)(CC(=O)C=CC4=CC5=C(C=C4)OCO5)O
InChI=1SC27H22ClNO5c1172419(5317)15292310820(28)1322(23)27(3226(29)31)1421(30)96187112425(1218)34163324h21332H1416H21H3b96+
MFCD03103615
O=C(CC1(O)C(=O)N(c2c1cc(Cl)cc2)Cc1ccc(cc1)C)C=Cc1ccc2c(c1)OCO2
ZINC000010059185
ZINC000010059186
Check stock
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Check stock on Vitas-MAvailable files
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