Vitas-M small molecule compound

(2E)-2-{4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide

Catalog ID
STK048814
SMILES C=CCNC(=S)N/N=C/c1ccc(c(c1)OC)OCCCOc1cccc(c1C)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 C23H29N3O3S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O3S/c1-5-12-24-23(30)26-25-16-19-10-11-21(22(15-19)27-4)29-14-7-13-28-20-9-6-8-17(2)18(20)3/h5-6,8-11,15-16H,1,7,12-14H2,2-4H3,(H2,24,26,30)/b25-16+
InChIKey
OEIMZSGTUPONQY-PCLIKHOPSA-N
Synonyms

(2E)2(4(3(23DIMETHYLPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)N(PROP2EN1YL)HYDRAZINECARBOTHIOAMIDE
1((E)(4(3(23dimethylphenoxy)propoxy)3methoxyphenyl)methylideneamino)3prop2enylthiourea
C=CCNC(=S)NN=Cc1ccc(c(c1)OC)OCCCOc1cccc(c1C)C
CC1=C(C(=CC=C1)OCCCOC2=C(C=C(C=C2)C=NNC(=S)NCC=C)OC)C
InChI=1SC23H29N3O3Sc15122423(30)26251619101121(22(1519)274)2914713282096817(2)18(20)3h568111516H171214H224H3(H2242630)b2516+
MFCD05975545
STK048814
ZINC000006302600
ZINC96444272

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Available files

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