Vitas-M small molecule compound
ethyl 2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL396689
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C\c3cnn(c3)C)/C(=O)N2C2CC2)sc2c1CCCC2
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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 C24H27N5O4S2 MW 513.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4S2/c1-3-33-23(32)20-16-6-4-5-7-18(16)35-21(20)27-19(30)13-34-24-26-17(10-14-11-25-28(2)12-14)22(31)29(24)15-8-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,27,30)/b17-10-InChIKey
FRZBQOQHEXOFNI-YVLHZVERSA-NSynonyms
1005607-42-01005607420
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3C5CC5
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2C2CC2)sc2c1CCCC2
ethyl2(((((4Z)1cyclopropyl4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4Z)1cyclopropyl4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H27N5O4S2c133323(32)2016645718(16)3521(20)2719(30)1334242617(1014112528(2)1214)22(31)29(24)158915h101215H3913H212H3(H2730)b1710
MFCD04052072
ZINC000020608418
ZINC20608418
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