Vitas-M small molecule compound
2-[(4-methoxy-3-nitrobenzyl)sulfanyl]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)quinazolin-4(3H)-one
Catalog ID
STK665268
SMILES COc1ccc(cc1[N+](=O)[O-])CSc1nc2ccccc2c(=O)n1C12CC3CC(C2)CC(C1)C3
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-33-23-7-6-16(11-22(23)29(31)32)15-34-25-27-21-5-3-2-4-20(21)24(30)28(25)26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3InChIKey
QUWPYCKBAYNWLL-UHFFFAOYSA-NSynonyms
2((4methoxy3nitrobenzyl)sulfanyl)3(tricyclo(3311~37~)dec1yl)quinazolin4(3H)one
3(1adamantyl)2((4methoxy3nitrophenyl)methylsulfanyl)quinazolin4one
3ADAMANTANYL2((4METHOXY3NITROPHENYL)METHYLTHIO)3HYDROQUINAZOLIN4ONE
COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CSc1nc2ccccc2c(=O)n1C12CC3CC(C2)CC(C1)C3
InChI=1SC26H27N3O4Sc133237616(1122(23)29(31)32)1534252721532420(21)24(30)28(25)261217818(1326)1019(917)1426h27111719H8101215H21H3
MFCD08142722
ZINC000012371414
ZINC12371414
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