Vitas-M small molecule compound

5-[5-(propan-2-yl)thiophen-3-yl]-4-propyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK502638
SMILES CCCn1c(S)nnc1c1csc(c1)C(C)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 C12H17N3S2 MW 267.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N3S2/c1-4-5-15-11(13-14-12(15)16)9-6-10(8(2)3)17-7-9/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey
CGECXLADZSPDOM-UHFFFAOYSA-N
Synonyms
861227-42-1
3(5propan2ylthiophen3yl)4propyl1H124triazole5thione
5(5(PROPAN2YL)THIOPHEN3YL)4PROPYL4H124TRIAZOLE3THIOL
5(5ISOPROPYLTHIEN3YL)4PROPYL4H124TRIAZOLE3THIOL
5(5ISOPROPYLTHIOPHEN3YL)4PROPYL124TRIAZOLE3THIOL
861227421
CCCN1C(=NNC1=S)C2=CSC(=C2)C(C)C
InChI=1SC12H17N3S2c1451511(131412(15)16)9610(8(2)3)1779h68H45H213H3(H1416)
MFCD03423430
ZINC000002569135
ZINC2569135

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Available files

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