Vitas-M small molecule compound

methyl 2-[({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK960023
SMILES COC(=O)c1c(NC(=O)c2ccc(o2)Cn2ncc(c2)Br)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 C20H20BrN3O4S MW 478.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O4S/c1-27-20(26)17-14-5-3-2-4-6-16(14)29-19(17)23-18(25)15-8-7-13(28-15)11-24-10-12(21)9-22-24/h7-10H,2-6,11H2,1H3,(H,23,25)
InChIKey
IOIWCXHHNYVNBU-UHFFFAOYSA-N
Synonyms
514855-80-2
514855802
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br
InChI=1SC20H20BrN3O4Sc12720(26)17145324616(14)2919(17)2318(25)158713(2815)11241012(21)92224h710H2611H21H3(H2325)
methyl2(((5((4bromo1Hpyrazol1yl)methyl)furan2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((5((4bromopyrazol1yl)methyl)furan2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03469992
ZINC000002762027
ZINC02762027
ZINC2762027

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Available files

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