Vitas-M small molecule compound
methyl 2-({[2-({5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)hydrazinyl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK457659
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2ccc(o2)Cn2nc(c(c2)Br)[N+](=O)[O-])sc2c1CCC2
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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 C19H17BrN6O6S2 MW 569.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN6O6S2/c1-31-18(28)14-10-3-2-4-13(10)34-17(14)21-19(33)23-22-16(27)12-6-5-9(32-12)7-25-8-11(20)15(24-25)26(29)30/h5-6,8H,2-4,7H2,1H3,(H,22,27)(H2,21,23,33)InChIKey
IOOUDLDXJVSQJI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC=C(O3)CN4C=C(C(=N4)(N+)(=O)(O))Br
COC(=O)c1c(NC(=S)NNC(=O)c2ccc(o2)Cn2nc(c(c2)Br)(N+)(=O)(O))sc2c1CCC2
InChI=1SC19H17BrN6O6S2c13118(28)141032413(10)3417(14)2119(33)232216(27)12659(3212)725811(20)15(2425)26(29)30h568H247H21H3(H2227)(H2212333)
METHYL2(((((5((4BROMO3NITROPYRAZOLYL)METHYL)(2FURYL))CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((2((5((4bromo3nitro1Hpyrazol1yl)methyl)furan2yl)carbonyl)hydrazinyl)carbonothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((5((4BROMO3NITROPYRAZOL1YL)METHYL)FURAN2CARBONYL)AMINO)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD04265172
ZINC000002855694
ZINC2855694
Check stock
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Check stock on Vitas-MAvailable files
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