Vitas-M small molecule compound

N'-{(E)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide

Catalog ID
STK387805
SMILES O=C(c1ccc(cc1)Nc1scc(n1)c1ccccc1)N/N=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C

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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 C30H25N5O3S MW 535.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3S/c1-19-14-23(20(2)35(19)25-12-13-27-28(15-25)38-18-37-27)16-31-34-29(36)22-8-10-24(11-9-22)32-30-33-26(17-39-30)21-6-4-3-5-7-21/h3-17H,18H2,1-2H3,(H,32,33)(H,34,36)/b31-16+
InChIKey
RCNQUIYCAKADDZ-WCMJOSRZSA-N
Synonyms

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NNC(=O)C4=CC=C(C=C4)NC5=NC(=CS5)C6=CC=CC=C6
InChI=1SC30H25N5O3Sc1191423(20(2)35(19)2512132728(1525)38183727)16313429(36)2281024(11922)32303326(173930)216435721h317H18H212H3(H3233)(H3436)b3116+
MFCD01874084
N((1E)2(1(2HBENZO(34D)13DIOXOLAN5YL)25DIMETHYLPYRROL3YL)1AZAVINYL)(4((4PHENYL(13THIAZOL2YL))AMINO)PHENYL)CARBOXAMIDE
N((E)(1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)4((4PHENYL13THIAZOL2YL)AMINO)BENZOHYDRAZIDE
N((E)(1(13benzodioxol5yl)25dimethylpyrrol3yl)methylideneamino)4((4phenyl13thiazol2yl)amino)benzamide
O=C(c1ccc(cc1)Nc1scc(n1)c1ccccc1)NN=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C
ZINC000004062801
ZINC33358672

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Available files

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