Vitas-M small molecule compound
4-[(2-{2-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-indol-3-yl}ethyl)amino]-4-oxobutanoic acid
Catalog ID
STK563505
SMILES O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)C2CCCCC2)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 C25H28N4O5S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5S/c30-21(10-11-22(31)32)26-13-12-17-16-8-4-5-9-19(16)27-20(17)14-18-23(33)28-25(35)29(24(18)34)15-6-2-1-3-7-15/h4-5,8-9,14-15,27H,1-3,6-7,10-13H2,(H,26,30)(H,31,32)(H,28,33,35)/b18-14-InChIKey
ZOISWCAJCZNIPV-JXAWBTAJSA-NSynonyms
4((2(2((Z)(1cyclohexyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)amino)4oxobutanoicacid
4(2(2((Z)(1CYCLOHEXYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYLAMINO)4OXOBUTANOICACID
C1CCC(CC1)N2C(=O)C(=CC3=C(C4=CC=CC=C4N3)CCNC(=O)CCC(=O)O)C(=O)NC2=S
InChI=1SC25H28N4O5Sc3021(101122(31)32)2613121716845919(16)2720(17)141823(33)2825(35)29(24(18)34)156213715h4589141527H13671013H2(H2630)(H3132)(H283335)b1814
MFCD04072809
O=C(CCC(=O)O)NCCc1c(C=C2C(=O)N=C(N(C2=O)C2CCCCC2)S)(nH)c2c1cccc2
ZINC000017194631
ZINC17194631
Check stock
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