Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-benzyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722774
SMILES O=c1c2c3CCN(Cc3sc2n2c(n1c1ccccc1)nnc2SCc1ccc2c(c1)OCO2)Cc1ccccc1
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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 C31H25N5O3S2 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O3S2/c37-28-27-23-13-14-34(16-20-7-3-1-4-8-20)17-26(23)41-29(27)36-30(35(28)22-9-5-2-6-10-22)32-33-31(36)40-18-21-11-12-24-25(15-21)39-19-38-24/h1-12,15H,13-14,16-19H2InChIKey
MRTVMXIJQNPCEQ-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)8benzyl4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)8benzyl4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C1CN(CC2=C1C3=C(S2)N4C(=NN=C4SCC5=CC6=C(C=C5)OCO6)N(C3=O)C7=CC=CC=C7)CC8=CC=CC=C8
InChI=1SC31H25N5O3S2c37282723131434(16207314820)1726(23)4129(27)3630(35(28)2295261022)323331(36)40182111122425(1521)39193824h11215H13141619H2
MFCD02241293
ZINC000100966782
ZINC100966782
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