Vitas-M small molecule compound
ethyl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK305235
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2c2ccccc2)sc2c1CCCCC2
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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/c1-3-37-27(36)24-20-12-8-5-9-13-22(20)39-25(24)31-23(34)17-38-28-30-21(14-18-15-29-32(2)16-18)26(35)33(28)19-10-6-4-7-11-19/h4,6-7,10-11,14-16H,3,5,8-9,12-13,17H2,1-2H3,(H,31,34)/b21-14+InChIKey
GDODPQQMEXTRAM-KGENOOAVSA-NSynonyms
1005671-91-91005671919
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3C5=CC=CC=C5
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2c2ccccc2)sc2c1CCCCC2
ethyl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC28H29N5O4S2c133727(36)2420128591322(20)3925(24)3123(34)1738283021(1418152932(2)1618)26(35)33(28)19106471119h46710111416H3589121317H212H3(H3134)b2114+
MFCD04050335
ZINC000002785574
ZINC2785574
Check stock
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Check stock on Vitas-MAvailable files
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