Vitas-M small molecule compound

1-{2-[(4-ethoxybenzyl)sulfanyl]ethyl}guanidine

Catalog ID
STK525262
SMILES CCOc1ccc(cc1)CSCCNC(=N)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 C12H19N3OS MW 253.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N3OS/c1-2-16-11-5-3-10(4-6-11)9-17-8-7-15-12(13)14/h3-6H,2,7-9H2,1H3,(H4,13,14,15)
InChIKey
NPOCLSLWYWHXRZ-UHFFFAOYSA-N
Synonyms

1(2((4ethoxybenzyl)sulfanyl)ethyl)guanidine
1(2((4ethoxybenzyl)thio)ethyl)guanidinehemisulfate
2(2((4ETHOXYBENZYL)SULFANYL)ETHYL)GUANIDINE
2(2((4ETHOXYPHENYL)METHYLSULFANYL)ETHYL)GUANIDINE
CCOC1=CC=C(C=C1)CSCCN=C(N)N
InChI=1SC12H19N3OSc1216115310(4611)917871512(13)14h36H279H21H3(H4131415)
MFCD00698365
OS(=O)(=O)OCCOc1ccc(cc1)CSCCNC(=N)NCCOc1ccc(cc1)CSCCNC(=N)N
ZINC000001788258
ZINC1788258

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Available files

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