Vitas-M small molecule compound
2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
Catalog ID
STK632733
SMILES COc1cc2nc(CSCC(=O)N3CCN(CC3)c3ccccn3)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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c1-30-17-11-15-16(12-18(17)31-2)24-19(25-22(15)29)13-32-14-21(28)27-9-7-26(8-10-27)20-5-3-4-6-23-20/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,29)InChIKey
ZSNBVWMWSLNGHO-UHFFFAOYSA-NSynonyms
1010900-57-81010900578
2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)1(4(pyridin2yl)piperazin1yl)ethanone
67dimethoxy2((2oxo2(4pyridin2ylpiperazin1yl)ethyl)sulfanylmethyl)1Hquinazolin4one
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC
InChI=1SC22H25N5O4Sc13017111516(1218(17)312)2419(2522(15)29)13321421(28)279726(81027)2053462320h361112H7101314H212H3(H242529)
MFCD18159873
ZINC000012391812
ZINC12391812
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