Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(2-oxopyrrolidin-1-yl)benzyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL166920
SMILES O=C1CCCN1c1ccc(cc1)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2
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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 C25H21N3O4S2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S2/c29-22-2-1-10-27(22)18-6-3-16(4-7-18)14-34-25-26-19-9-11-33-23(19)24(30)28(25)13-17-5-8-20-21(12-17)32-15-31-20/h3-9,11-12H,1-2,10,13-15H2InChIKey
DVNINOPFNQDNIQ-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((4(2oxopyrrolidin1yl)benzyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(13benzodioxol5ylmethyl)2((4(2oxopyrrolidin1yl)phenyl)methylsulfanyl)thieno(32d)pyrimidin4one
C1CC(=O)N(C1)C2=CC=C(C=C2)CSC3=NC4=C(C(=O)N3CC5=CC6=C(C=C5)OCO6)SC=C4
InChI=1SC25H21N3O4S2c2922211027(22)186316(4718)14342526199113323(19)24(30)28(25)1317582021(1217)32153120h391112H12101315H2
MFCD20749197
ZINC000071768743
ZINC71768743
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