Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STL108239
SMILES O=C(N1CCCc2c1cccc2)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(29-13-5-7-19-6-1-4-10-22(19)29)16-35-27-28-21-9-3-2-8-20(21)26(32)30(27)15-18-11-12-23-24(14-18)34-17-33-23/h1-4,6,8-12,14H,5,7,13,15-17H2InChIKey
SADBFVISBWIIFA-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((2(34dihydroquinolin1(2H)yl)2oxoethyl)sulfanyl)quinazolin4(3H)one
3(13benzodioxol5ylmethyl)2(2(34dihydro2Hquinolin1yl)2oxoethyl)sulfanylquinazolin4one
C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6
InChI=1SC27H23N3O4Sc3125(291357196141022(19)29)1635272821932820(21)26(32)30(27)151811122324(1418)34173323h14681214H57131517H2
MFCD02651080
ZINC000009472393
ZINC9472393
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