Vitas-M small molecule compound
ethyl 5-({(1E)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxyprop-1-en-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
Catalog ID
STK953504
SMILES CCOC(=O)c1cnn(c1N/C(=C/O)/CSc1cc(C)c(c2n1c1ccccc1n2)C#N)Cc1ccc(cc1)C
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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 C30H28N6O3S MW 552.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O3S/c1-4-39-30(38)24-15-32-35(16-21-11-9-19(2)10-12-21)28(24)33-22(17-37)18-40-27-13-20(3)23(14-31)29-34-25-7-5-6-8-26(25)36(27)29/h5-13,15,17,33,37H,4,16,18H2,1-3H3/b22-17+InChIKey
KFHXLYPZLWVIJP-OQKWZONESA-NSynonyms
CCOC(=O)C1=C(N(N=C1)CC2=CC=C(C=C2)C)NC(=CO)CSC3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C
CCOC(=O)c1cnn(c1NC(=CO)CSc1cc(C)c(c2n1c1ccccc1n2)C#N)Cc1ccc(cc1)C
ethyl5(((1E)3((4cyano3methylpyrido(12a)benzimidazol1yl)sulfanyl)1hydroxyprop1en2yl)amino)1(4methylbenzyl)1Hpyrazole4carboxylate
ethyl5(((E)3(4cyano3methylpyrido(12a)benzimidazol1yl)sulfanyl1hydroxyprop1en2yl)amino)1((4methylphenyl)methyl)pyrazole4carboxylate
InChI=1SC30H28N6O3Sc143930(38)24153235(162111919(2)101221)28(24)3322(1737)1840271320(3)23(1431)293425756826(25)36(27)29h51315173337H41618H213H3b2217+
MFCD18180816
ZINC000102816697
ZINC102816697
Check stock
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