Vitas-M small molecule compound

3-[(3Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-chloro-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK394781
SMILES O=C(CC1(O)c2cc(Cl)ccc2N(C1=O)CCc1ccccc1)/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/c28-20-8-10-23-22(15-20)27(32,26(31)29(23)13-12-18-4-2-1-3-5-18)16-21(30)9-6-19-7-11-24-25(14-19)34-17-33-24/h1-11,14-15,32H,12-13,16-17H2/b9-6-
InChIKey
YANQFFWZUKENCW-TWGQIWQCSA-N
Synonyms

3((3Z)4(13benzodioxol5yl)2oxobut3en1yl)5chloro3hydroxy1(2phenylethyl)13dihydro2Hindol2one
3((Z)4(13benzodioxol5yl)2oxobut3enyl)5chloro3hydroxy1(2phenylethyl)indol2one
3(4(2HBENZO(34D)13DIOXOLEN5YL)(3Z)2OXOBUT3ENYL)5CHLORO3HYDROXY1(2PHENYLETHYL)INDOLIN2ONE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3(C4=C(C=CC(=C4)Cl)N(C3=O)CCC5=CC=CC=C5)O
InChI=1SC27H22ClNO5c28208102322(1520)27(3226(31)29(23)1312184213518)1621(30)96197112425(1419)34173324h111141532H12131617H2b96
MFCD03835663
O=C(CC1(O)c2cc(Cl)ccc2N(C1=O)CCc1ccccc1)C=Cc1ccc2c(c1)OCO2
ZINC000015946266
ZINC000015946268

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Available files

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