Vitas-M small molecule compound
3-chloro-N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)benzamide
Catalog ID
STK657265
SMILES COc1cc2nc(CSCCNC(=O)c3cccc(c3)Cl)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 C20H20ClN3O4S MW 433.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O4S/c1-27-16-9-14-15(10-17(16)28-2)23-18(24-20(14)26)11-29-7-6-22-19(25)12-4-3-5-13(21)8-12/h3-5,8-10H,6-7,11H2,1-2H3,(H,22,25)(H,23,24,26)InChIKey
TYCXLCDQMRPIEX-UHFFFAOYSA-NSynonyms
1190256-98-41190256984
3chloroN(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)benzamide
3chloroN(2((67dimethoxy4oxo1Hquinazolin2yl)methylsulfanyl)ethyl)benzamide
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC(=CC=C3)Cl)OC
InChI=1SC20H20ClN3O4Sc1271691415(1017(16)282)2318(2420(14)26)1129762219(25)1243513(21)812h35810H6711H212H3(H2225)(H232426)
MFCD18167976
ZINC000036364775
ZINC36364775
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