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4-{[2-(2-{(Z)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]amino}-4-oxobutanoic acid

Catalog ID
STL053302
SMILES O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)[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 C26H23FN4O5S MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O5S/c27-16-7-5-15(6-8-16)14-31-25(36)19(24(35)30-26(31)37)13-21-18(17-3-1-2-4-20(17)29-21)11-12-28-22(32)9-10-23(33)34/h1-8,13,29H,9-12,14H2,(H,28,32)(H,33,34)(H,30,35,37)/b19-13-
InChIKey
PSKAJKMJFXYKJG-UYRXBGFRSA-N
Synonyms

4((2(2((Z)(1(4fluorobenzyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)amino)4oxobutanoicacid
4(2(2((Z)(1((4FLUOROPHENYL)METHYL)46BIS(OXIDANYLIDENE)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYLAMINO)4OXIDANYLIDENEBUTANOICACID
4(2(2((Z)(1((4FLUOROPHENYL)METHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYLAMINO)4OXOBUTANOICACID
4(2(2((Z)(1(4FLUOROBENZYL)46DIKETO2THIOXOHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)1HINDOL3YL)ETHYLAMINO)4KETOBUTYRICACID
C1=CC=C2C(=C1)C(=C(N2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F)CCNC(=O)CCC(=O)O
InChI=1SC26H23FN4O5Sc27167515(6816)143125(36)19(24(35)3026(31)37)132118(17312420(17)2921)11122822(32)91023(33)34h181329H91214H2(H2832)(H3334)(H303537)b1913
MFCD05727431
N(2(2(1(4FLUOROBENZYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)1HINDOL3YL)ETHYL)SUCCINAMICACID
O=C(CCC(=O)O)NCCc1c(C=C2C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)(nH)c2c1cccc2
ZINC000017207731
ZINC17207731

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Available files

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