Vitas-M small molecule compound
4-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK283423
SMILES O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C26H22N4O2S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S2/c1-16-9-5-7-13-19(16)29-23(32)22-18-12-6-8-14-21(18)34-24(22)30-25(29)27-28-26(30)33-15-20(31)17-10-3-2-4-11-17/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3InChIKey
CPSPAWGDIKPZKS-UHFFFAOYSA-NSynonyms
1((2oxo2phenylethyl)thio)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(2methylphenyl)1((2oxo2phenylethyl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CCCC6
InChI=1SC26H22N4O2S2c1169571319(16)2923(32)221812681421(18)3424(22)3025(29)272826(30)331520(31)17103241117h25791113H68121415H21H3
MFCD02986146
ZINC000001856489
ZINC01856489
ZINC1856489
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