Vitas-M small molecule compound
4-({4-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-2-iodophenoxy}methyl)benzoic acid
Catalog ID
STK183162
SMILES N#C/C(=C/c1ccc(c(c1)I)OCc1ccc(cc1)C(=O)O)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C28H22IN3O4 MW 591.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22IN3O4/c29-24-14-19(7-10-26(24)36-17-18-5-8-20(9-6-18)28(34)35)13-22(15-30)27(33)31-12-11-21-16-32-25-4-2-1-3-23(21)25/h1-10,13-14,16,32H,11-12,17H2,(H,31,33)(H,34,35)/b22-13-InChIKey
JOEXTSZDHISHEN-XKZIYDEJSA-NSynonyms
4((4((1Z)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)2IODOPHENOXY)METHYL)BENZOICACID
4((4((Z)2cyano3(2(1Hindol3yl)ethylamino)3oxoprop1enyl)2iodophenoxy)methyl)benzoicacid
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)C#N
InChI=1SC28H22IN3O4c29241419(71026(24)3617185820(9618)28(34)35)1322(1530)27(33)31121121163225421323(21)25h11013141632H111217H2(H3133)(H3435)b2213
MFCD04531462
N#CC(=Cc1ccc(c(c1)I)OCc1ccc(cc1)C(=O)O)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000097960742
ZINC97960742
Check stock
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