Vitas-M small molecule compound
8-tert-butyl-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
STK531359
SMILES O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)CCC(C3)C(C)(C)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 C30H30N4O2S2 MW 542.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O2S2/c1-18-10-8-9-13-22(18)33-26(36)25-21-15-14-20(30(2,3)4)16-24(21)38-27(25)34-28(33)31-32-29(34)37-17-23(35)19-11-6-5-7-12-19/h5-13,20H,14-17H2,1-4H3InChIKey
ROSQGPSPIUXERP-UHFFFAOYSA-NSynonyms
8(tertbutyl)1((2oxo2phenylethyl)thio)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8tertbutyl4(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=C3CCC(C6)C(C)(C)C
InChI=1SC30H30N4O2S2c11810891322(18)3326(36)2521151420(30(23)4)1624(21)3827(25)3428(33)313229(34)371723(35)19116571219h51320H1417H214H3
MFCD02988366
ZINC000002216186
ZINC000002216188
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