Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(2-oxopyrrolidin-1-yl)benzyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STL106777
SMILES O=C1CCCN1c1ccc(cc1)CSc1nc2ccccc2c(=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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c31-25-6-3-13-29(25)20-10-7-18(8-11-20)16-35-27-28-22-5-2-1-4-21(22)26(32)30(27)15-19-9-12-23-24(14-19)34-17-33-23/h1-2,4-5,7-12,14H,3,6,13,15-17H2InChIKey
AKIWMFYCFVJDIK-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((4(2oxopyrrolidin1yl)benzyl)sulfanyl)quinazolin4(3H)one
3(13benzodioxol5ylmethyl)2((4(2oxopyrrolidin1yl)phenyl)methylsulfanyl)quinazolin4one
C1CC(=O)N(C1)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6
InChI=1SC27H23N3O4Sc3125631329(25)2010718(81120)1635272822521421(22)26(32)30(27)15199122324(1419)34173323h124571214H36131517H2
MFCD20738001
ZINC000067259404
ZINC67259404
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