Vitas-M small molecule compound

(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(3-bromophenyl)carbonyl]amino}prop-2-enoate

Catalog ID
STK382018
SMILES Brc1cccc(c1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)OCN1C(=O)c2c(C1=O)cccc2

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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 C26H17BrN2O7 MW 549.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrN2O7/c27-17-5-3-4-16(12-17)23(30)28-20(10-15-8-9-21-22(11-15)36-14-35-21)26(33)34-13-29-24(31)18-6-1-2-7-19(18)25(29)32/h1-12H,13-14H2,(H,28,30)/b20-10-
InChIKey
PGVBMGZPWFZWMB-JMIUGGIZSA-N
Synonyms

(13dioxo13dihydro2Hisoindol2yl)methyl(2Z)3(13benzodioxol5yl)2(((3bromophenyl)carbonyl)amino)prop2enoate
(13DIOXOBENZO(C)AZOLIDIN2YL)METHYL3(2HBENZO(34D)13DIOXOLAN5YL)(2Z)2((3BROMOPHENYL)CARBONYLAMINO)PROP2ENOATE
(13DIOXOISOINDOL2YL)METHYL(Z)3(13BENZODIOXOL5YL)2((3BROMOBENZOYL)AMINO)PROP2ENOATE
Brc1cccc(c1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)OCN1C(=O)c2c(C1=O)cccc2
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)NC(=O)C5=CC(=CC=C5)Br
InChI=1SC26H17BrN2O7c271753416(1217)23(30)2820(1015892122(1115)36143521)26(33)34132924(31)18612719(18)25(29)32h112H1314H2(H2830)b2010
MFCD03273752
ZINC000100097535
ZINC100097535

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Available files

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