Vitas-M small molecule compound
propan-2-yl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305350
SMILES Cn1ncc(c1)/C=C\1/N=C(N(C1=O)c1ccccc1)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 C28H29N5O4S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S2/c1-17(2)37-27(36)24-20-11-7-8-12-22(20)39-25(24)31-23(34)16-38-28-30-21(13-18-14-29-32(3)15-18)26(35)33(28)19-9-5-4-6-10-19/h4-6,9-10,13-15,17H,7-8,11-12,16H2,1-3H3,(H,31,34)/b21-13+InChIKey
FWYUXLWNJGPYQF-FYJGNVAPSA-NSynonyms
1005555-67-81005555678
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3C5=CC=CC=C5
Cn1ncc(c1)C=C1N=C(N(C1=O)c1ccccc1)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
InChI=1SC28H29N5O4S2c117(2)3727(36)242011781222(20)3925(24)3123(34)1638283021(1318142932(3)1518)26(35)33(28)1995461019h46910131517H78111216H213H3(H3134)b2113+
MFCD04050331
propan2yl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002785972
ZINC2785972
Check stock
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Check stock on Vitas-MAvailable files
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