Vitas-M small molecule compound

N-methyl-2-[(4-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-phenylacetamide

Catalog ID
STL333790
SMILES O=C(N(c1ccccc1)C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)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 C21H21N5O2S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S2/c1-24(13-8-4-3-5-9-13)16(27)12-29-21-23-22-20-25(2)18(28)17-14-10-6-7-11-15(14)30-19(17)26(20)21/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKey
ALWPWLQOXHPAMT-UHFFFAOYSA-N
Synonyms
488709-06-4
488709064
CN1C(=O)C2=C(N3C1=NN=C3SCC(=O)N(C)C4=CC=CC=C4)SC5=C2CCCC5
InChI=1SC21H21N5O2S2c124(138435913)16(27)12292123222025(2)18(28)171410671115(14)3019(17)26(20)21h3589H671012H212H3
Nmethyl2((4methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)Nphenylacetamide
Nmethyl2((4methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenylacetamide
ZINC02335960
ZINC2335960

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Available files

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