Vitas-M small molecule compound

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

Catalog ID
STL049997
SMILES O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)C(C)C)O)[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 C28H28N4O6 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O6/c1-16(2)17-7-9-18(10-8-17)32-27(37)21(26(36)31-28(32)38)15-23-20(19-5-3-4-6-22(19)30-23)13-14-29-24(33)11-12-25(34)35/h3-10,15-16,30H,11-14H2,1-2H3,(H,29,33)(H,34,35)(H,31,36,38)/b21-15-
InChIKey
MXFAQXCELRDYLB-QNGOZBTKSA-N
Synonyms

4((2(2((Z)(4hydroxy26dioxo1(4(propan2yl)phenyl)16dihydropyrimidin5(2H)ylidene)methyl)1Hindol3yl)ethyl)amino)4oxobutanoicacid
4OXO4(2(2((Z)(246TRIOXO1(4PROPAN2YLPHENYL)13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYLAMINO)BUTANOICACID
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C4=CC=CC=C4N3)CCNC(=O)CCC(=O)O)C(=O)NC2=O
InChI=1SC28H28N4O6c116(2)177918(10817)3227(37)21(26(36)3128(32)38)152320(19534622(19)3023)13142924(33)111225(34)35h310151630H1114H212H3(H2933)(H3435)(H313638)b2115
MFCD05724425
O=C(CCC(=O)O)NCCc1c(C=C2C(=NC(=O)N(C2=O)c2ccc(cc2)C(C)C)O)(nH)c2c1cccc2
ZINC000017198347
ZINC17198347

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Available files

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