Vitas-M small molecule compound

ethyl 2-({[6-bromo-2-(4-butylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK428999
SMILES CCCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)Br

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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 C32H33BrN2O3S MW 605.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O3S/c1-3-5-9-20-12-14-21(15-13-20)27-19-25(24-18-22(33)16-17-26(24)34-27)30(36)35-31-29(32(37)38-4-2)23-10-7-6-8-11-28(23)39-31/h12-19H,3-11H2,1-2H3,(H,35,36)
InChIKey
RGAKEJIBPMPBEF-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OCC
ethyl2(((6bromo2(4butylphenyl)quinolin4yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((6bromo2(4butylphenyl)quinoline4carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC32H33BrN2O3Sc135920121421(151320)271925(241822(33)161726(24)3427)30(36)353129(32(37)3842)23107681128(23)3931h1219H311H212H3(H3536)
MFCD03233231
ZINC000097948829
ZINC97948829

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Available files

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