Vitas-M small molecule compound

5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK843160
SMILES c1ccc(cc1)Cc1nc2sc3c(c2c2n1cnn2)CCCC3

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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 C18H16N4S MW 320.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4S/c1-2-6-12(7-3-1)10-15-20-18-16(17-21-19-11-22(15)17)13-8-4-5-9-14(13)23-18/h1-3,6-7,11H,4-5,8-10H2
InChIKey
RPTYKXPWVYGWFI-UHFFFAOYSA-N
Synonyms
77995-36-9
5benzyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
5benzyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
77995369
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4)CC5=CC=CC=C5
InChI=1SC18H16N4Sc12612(731)1015201816(1721191122(15)17)13845914(13)2318h136711H45810H2
MFCD03043801
ZINC000000356488
ZINC00356488
ZINC356488

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Available files

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