Vitas-M small molecule compound
4-benzyl-1-(benzylsulfanyl)-8-tert-butyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722349
SMILES O=c1c2c3CCC(Cc3sc2n2c(n1Cc1ccccc1)nnc2SCc1ccccc1)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 C29H30N4OS2 MW 514.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS2/c1-29(2,3)21-14-15-22-23(16-21)36-26-24(22)25(34)32(17-19-10-6-4-7-11-19)27-30-31-28(33(26)27)35-18-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3InChIKey
KQZVYMOXAXIWDQ-UHFFFAOYSA-NSynonyms
373614-16-5373614165
4benzyl1(benzylsulfanyl)8tertbutyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1(benzylthio)8(tertbutyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC29H30N4OS2c129(23)2114152223(1621)362624(22)25(34)32(1719106471119)27303128(33(26)27)351820128591320h41321H1418H213H3
MFCD01948242
ZINC000002281354
ZINC000002281355
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