Vitas-M small molecule compound
4-(3-methylphenyl)-1-thioxo-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STK563248
SMILES Cc1cccc(c1)n1c(=O)c2c3CCCCc3sc2n2c1n[nH]c2=S
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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 C18H16N4OS2 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4OS2/c1-10-5-4-6-11(9-10)21-15(23)14-12-7-2-3-8-13(12)25-16(14)22-17(21)19-20-18(22)24/h4-6,9H,2-3,7-8H2,1H3,(H,20,24)InChIKey
CDSJMZUNSYSRKN-UHFFFAOYSA-NSynonyms
371123-92-1371123921
4(3methylphenyl)1thioxo246789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(1H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCCC5
Cc1cccc(c1)n1c(=O)c2c3CCCCc3sc2n2c1n(nH)c2=S
InChI=1SC18H16N4OS2c11054611(910)2115(23)1412723813(12)2516(14)2217(21)192018(22)24h469H2378H21H3(H2024)
MFCD03798057
ZINC000002313917
ZINC2313917
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