Vitas-M small molecule compound
4-(2-phenylethyl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720509
SMILES CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3)C
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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 C29H30N4O2S2 MW 530.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S2/c1-19(2)35-22-14-12-21(13-15-22)18-36-29-31-30-28-32(17-16-20-8-4-3-5-9-20)26(34)25-23-10-6-7-11-24(23)37-27(25)33(28)29/h3-5,8-9,12-15,19H,6-7,10-11,16-18H2,1-2H3InChIKey
XWBBCYSOXCIALP-UHFFFAOYSA-NSynonyms
488842-18-81((4isopropoxybenzyl)thio)4phenethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(2phenylethyl)1((4(propan2yloxy)benzyl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
488842188
CC(C)OC1=CC=C(C=C1)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6
InChI=1SC29H30N4O2S2c119(2)3522141221(131522)18362931302832(1716208435920)26(34)252310671124(23)3727(25)33(28)29h3589121519H6710111618H212H3
MFCD03294385
ZINC000001837694
ZINC01837694
ZINC1837694
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