Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-bromo-2-(5-ethylthiophen-2-yl)quinolin-4-yl]methanone

Catalog ID
STK434658
SMILES CCc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C28H26BrN3O3S MW 564.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN3O3S/c1-2-20-5-8-27(36-20)24-15-22(21-14-19(29)4-6-23(21)30-24)28(33)32-11-9-31(10-12-32)16-18-3-7-25-26(13-18)35-17-34-25/h3-8,13-15H,2,9-12,16-17H2,1H3
InChIKey
VKVLAYZXZJDPOF-UHFFFAOYSA-N
Synonyms

(4(13benzodioxol5ylmethyl)piperazin1yl)(6bromo2(5ethylthiophen2yl)quinolin4yl)methanone
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL6BROMO2(5ETHYL(2THIENYL))(4QUINOLYL)KETONE
CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC28H26BrN3O3Sc12205827(3620)241522(211419(29)4623(21)3024)28(33)3211931(101232)1618372526(1318)35173425h381315H29121617H21H3
MFCD03943715
ZINC000097948336
ZINC97948336

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Available files

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