Vitas-M small molecule compound
(2E)-2-{4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-N-methylhydrazinecarbothioamide
Catalog ID
STK018019
SMILES CNC(=S)N/N=C/c1ccc(c(c1)OC)OCCCOc1c(C)cccc1C
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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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-15-7-5-8-16(2)20(15)27-12-6-11-26-18-10-9-17(13-19(18)25-4)14-23-24-21(28)22-3/h5,7-10,13-14H,6,11-12H2,1-4H3,(H2,22,24,28)/b23-14+InChIKey
XEHXZPLNQSFHHZ-OEAKJJBVSA-NSynonyms
(2E)2(4(3(26DIMETHYLPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)NMETHYLHYDRAZINECARBOTHIOAMIDE
1((E)(4(3(26dimethylphenoxy)propoxy)3methoxyphenyl)methylideneamino)3methylthiourea
CC1=C(C(=CC=C1)C)OCCCOC2=C(C=C(C=C2)C=NNC(=S)NC)OC
CNC(=S)NN=Cc1ccc(c(c1)OC)OCCCOc1c(C)cccc1C
InChI=1SC21H27N3O3Sc11575816(2)20(15)2712611261810917(1319(18)254)14232421(28)223h57101314H61112H214H3(H2222428)b2314+
MFCD05975531
STK018019
ZINC000004576265
ZINC33734462
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