Vitas-M small molecule compound

2-(3-bromophenyl)-N'-{(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylidene}quinoline-4-carbohydrazide

Catalog ID
STK451069
SMILES COc1ccc(cc1CN1CCSCC1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1cccc(c1)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 C29H27BrN4O2S MW 575.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN4O2S/c1-36-28-10-9-20(15-22(28)19-34-11-13-37-14-12-34)18-31-33-29(35)25-17-27(21-5-4-6-23(30)16-21)32-26-8-3-2-7-24(25)26/h2-10,15-18H,11-14,19H2,1H3,(H,33,35)/b31-18+
InChIKey
ZPUDXLSLWYIOJW-FDAWAROLSA-N
Synonyms

2(3bromophenyl)N((E)(4methoxy3(thiomorpholin4ylmethyl)phenyl)methylidene)quinoline4carbohydrazide
2(3bromophenyl)N((E)(4methoxy3(thiomorpholin4ylmethyl)phenyl)methylideneamino)quinoline4carboxamide
2(3BROMOPHENYL)N(4METHOXY3(4THIOMORPHOLINYLMETHYL)BENZYLIDENE)4QUINOLINECARBOHYDRAZIDE
COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)CN5CCSCC5
COc1ccc(cc1CN1CCSCC1)C=NNC(=O)c1cc(nc2c1cccc2)c1cccc(c1)Br
InChI=1SC29H27BrN4O2Sc1362810920(1522(28)1934111337141234)18313329(35)251727(2154623(30)1621)3226832724(25)26h2101518H111419H21H3(H3335)b3118+
MFCD03071064
N((1E)2(4METHOXY3(14THIAZAPERHYDROIN4YLMETHYL)PHENYL)1AZAVINYL)(2(3BROMOPHENYL)(4QUINOLYL))CARBOXAMIDE
ZINC000008456065
ZINC102300211

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.