Vitas-M small molecule compound

(2E)-2-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-N-phenylhydrazinecarbothioamide

Catalog ID
STK196837
SMILES CCCCc1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=S)Nc1ccccc1

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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 C24H28N4S MW 404.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4S/c1-4-5-9-20-12-14-23(15-13-20)28-18(2)16-21(19(28)3)17-25-27-24(29)26-22-10-7-6-8-11-22/h6-8,10-17H,4-5,9H2,1-3H3,(H2,26,27,29)/b25-17+
InChIKey
LUSNKOIYHHWIIP-KOEQRZSOSA-N
Synonyms

(2E)2((1(4BUTYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)NPHENYLHYDRAZINECARBOTHIOAMIDE
1((E)(1(4BUTYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENEAMINO)3PHENYLTHIOUREA
CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)NC3=CC=CC=C3)C
CCCCc1ccc(cc1)n1c(C)cc(c1C)C=NNC(=S)Nc1ccccc1
InChI=1SC24H28N4Sc145920121423(151320)2818(2)1621(19(28)3)17252724(29)2622107681122h681017H459H213H3(H2262729)b2517+
MFCD03181901
ZINC000002053894
ZINC33347343

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Available files

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