Vitas-M small molecule compound

2-[1-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK202515
SMILES CCC(N1C(=O)c2c(C1=O)cccc2)c1nn2c(n1)c1c(nc2)sc2c1CCCC2

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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 C22H19N5O2S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S/c1-2-15(27-21(28)12-7-3-4-8-13(12)22(27)29)18-24-19-17-14-9-5-6-10-16(14)30-20(17)23-11-26(19)25-18/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKey
YWVRKPSRGNWJTF-UHFFFAOYSA-N
Synonyms

2(1(891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin2yl)propyl)1Hisoindole13(2H)dione
CCC(C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCC4)N5C(=O)C6=CC=CC=C6C5=O
InChI=1SC22H19N5O2Sc1215(2721(28)12734813(12)22(27)29)18241917149561016(14)3020(17)231126(19)2518h34781115H256910H21H3
MFCD08674684
ZINC000004740051
ZINC000004740052

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Available files

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