Vitas-M small molecule compound

(2E)-2-(4-butoxy-3-methoxybenzylidene)hydrazinecarbothioamide

Catalog ID
STK400515
SMILES CCCCOc1ccc(cc1OC)/C=N/NC(=S)N

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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 C13H19N3O2S MW 281.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3O2S/c1-3-4-7-18-11-6-5-10(8-12(11)17-2)9-15-16-13(14)19/h5-6,8-9H,3-4,7H2,1-2H3,(H3,14,16,19)/b15-9+
InChIKey
CFEAJKOJNQPWMW-OQLLNIDSSA-N
Synonyms

((E)(4BUTOXY3METHOXYPHENYL)METHYLIDENEAMINO)THIOUREA
(2E)2(4butoxy3methoxybenzylidene)hydrazinecarbothioamide
4BUTOXY3METHOXYBENZALDEHYDETHIOSEMICARBAZONE
CCCCOC1=C(C=C(C=C1)C=NNC(=S)N)OC
CCCCOc1ccc(cc1OC)C=NNC(=S)N
InChI=1SC13H19N3O2Sc134718116510(812(11)172)9151613(14)19h5689H347H212H3(H3141619)b159+
MFCD02256115
ZINC000002753180
ZINC5461269

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Available files

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