Vitas-M small molecule compound
N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STK657699
SMILES COc1cc2nc(CSCCNC(=O)c3ccc4c(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 C23H25N3O6S MW 471.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O6S/c1-29-18-11-15-16(12-19(18)30-2)25-21(26-23(15)28)13-33-9-6-24-22(27)14-4-5-17-20(10-14)32-8-3-7-31-17/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,27)(H,25,26,28)InChIKey
RXFIDJWLMZRSHK-UHFFFAOYSA-NSynonyms
1190281-47-01190281470
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC4=C(C=C3)OCCCO4)OC
InChI=1SC23H25N3O6Sc12918111516(1219(18)302)2521(2623(15)28)1333962422(27)14451720(1014)328373117h451012H36913H212H3(H2427)(H252628)
MFCD18168126
N(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)34dihydro2H15benzodioxepine7carboxamide
N(2((67dimethoxy4oxo1Hquinazolin2yl)methylsulfanyl)ethyl)34dihydro2H15benzodioxepine7carboxamide
ZINC000036359058
ZINC36359058
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