Vitas-M small molecule compound
propan-2-yl 2-{[({(4E)-1-(3-methoxypropyl)-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
STK305252
SMILES COCCCN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C26H33N5O5S2 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O5S2/c1-16(2)36-25(34)22-18-8-5-6-9-20(18)38-23(22)29-21(32)15-37-26-28-19(12-17-13-27-30(3)14-17)24(33)31(26)10-7-11-35-4/h12-14,16H,5-11,15H2,1-4H3,(H,29,32)/b19-12+InChIKey
AUDKLIYKTCTTDL-XDHOZWIPSA-NSynonyms
1005672-21-81005672218
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3CCCOC
COCCCN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
InChI=1SC26H33N5O5S2c116(2)3625(34)2218856920(18)3823(22)2921(32)1537262819(1217132730(3)1417)24(33)31(26)10711354h121416H51115H214H3(H2932)b1912+
MFCD04050325
propan2yl2(((((4E)1(3methoxypropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4E)1(3methoxypropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000102000558
ZINC102000558
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