Vitas-M small molecule compound
{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-ium-1-yl]sulfanyl}acetate
Catalog ID
STK563806
SMILES [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)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 C20H18N4O3S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S2/c1-11-5-4-6-12(9-11)23-17(27)16-13-7-2-3-8-14(13)29-18(16)24-19(23)21-22-20(24)28-10-15(25)26/h4-6,9H,2-3,7-8,10H2,1H3,(H,25,26)InChIKey
JMYBQHCFAPQZBE-UHFFFAOYSA-NSynonyms
371236-38-3((4(3methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin2ium1yl)sulfanyl)acetate
(O)C(=O)CSc1(nH+)nc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3
371236383
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)O)SC5=C3CCCC5
InChI=1SC20H18N4O3S2c11154612(911)2317(27)1613723814(13)2918(16)2419(23)212220(24)281015(25)26h469H237810H21H3(H2526)
MFCD03006997
ZINC000002313357
ZINC2313357
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