Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-(propan-2-yl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214534
SMILES O=C(CC1(O)c2ccccc2N(C1=O)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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-14(2)23-18-6-4-3-5-17(18)22(26,21(23)25)12-16(24)9-7-15-8-10-19-20(11-15)28-13-27-19/h3-11,14,26H,12-13H2,1-2H3/b9-7+InChIKey
INSZZTVJIIVLKE-VQHVLOKHSA-NSynonyms
688038-36-03((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)3HYDROXY1(PROPAN2YL)13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)3HYDROXY1(METHYLETHYL)INDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)3HYDROXY1PROPAN2YLINDOL2ONE
3(4(13BENZODIOXOL5YL)2OXO3BUTENYL)3HYDROXY1ISOPROPYL13DIHYDRO2HINDOL2ONE
688038360
CC(C)N1C2=CC=CC=C2C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
InChI=1SC22H21NO5c114(2)2318643517(18)22(2621(23)25)1216(24)97158101920(1115)28132719h3111426H1213H212H3b97+
MFCD03835646
O=C(CC1(O)c2ccccc2N(C1=O)C(C)C)C=Cc1ccc2c(c1)OCO2
ZINC000004553733
ZINC000004553735
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