Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)acetamide
Catalog ID
STK652955
SMILES COc1cc2nc(CSCCNC(=O)Cc3ccc4c(c3)OCCCO4)nc(c2cc1OC)O
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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 C24H27N3O6S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O6S/c1-30-19-12-16-17(13-20(19)31-2)26-22(27-24(16)29)14-34-9-6-25-23(28)11-15-4-5-18-21(10-15)33-8-3-7-32-18/h4-5,10,12-13H,3,6-9,11,14H2,1-2H3,(H,25,28)(H,26,27,29)InChIKey
ZZBXKUUHXKRVQI-UHFFFAOYSA-NSynonyms
1190296-05-91190296059
2(34dihydro2H15benzodioxepin7yl)N(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)acetamide
2(34dihydro2H15benzodioxepin7yl)N(2((67dimethoxy4oxo1Hquinazolin2yl)methylsulfanyl)ethyl)acetamide
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)CC3=CC4=C(C=C3)OCCCO4)OC
InChI=1SC24H27N3O6Sc13019121617(1320(19)312)2622(2724(16)29)1434962523(28)1115451821(1015)338373218h45101213H3691114H212H3(H2528)(H262729)
MFCD18166509
ZINC000036365184
ZINC36365184
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