Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK805089
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C21H20N4O2S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S2/c1-3-12-28-21-23-22-20-24(13-8-10-14(27-2)11-9-13)18(26)17-15-6-4-5-7-16(15)29-19(17)25(20)21/h3,8-11H,1,4-7,12H2,2H3InChIKey
YHNBTYJSBUSPSV-UHFFFAOYSA-NSynonyms
351385-47-21(allylthio)4(4methoxyphenyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
351385472
4(4methoxyphenyl)1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCC5
InChI=1SC21H20N4O2S2c1312282123222024(1381014(272)11913)18(26)1715645716(15)2919(17)25(20)21h3811H14712H22H3
MFCD01878276
ZINC000002183409
ZINC02183409
ZINC2183409
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