Vitas-M small molecule compound

2-[(4-tert-butylbenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

Catalog ID
STL098558
SMILES O=c1[nH]c(SCc2ccc(cc2)C(C)(C)C)nc2c1oc1c2cccc1

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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 C21H20N2O2S MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O2S/c1-21(2,3)14-10-8-13(9-11-14)12-26-20-22-17-15-6-4-5-7-16(15)25-18(17)19(24)23-20/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKey
NZZOPELVMVJDKG-UHFFFAOYSA-N
Synonyms

2((4tertbutylbenzyl)sulfanyl)(1)benzofuro(32d)pyrimidin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)1H(1)benzofuro(32d)pyrimidin4one
CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3
InChI=1SC21H20N2O2Sc121(23)1410813(91114)122620221715645716(15)2518(17)19(24)2320h411H12H213H3(H222324)
MFCD18789801
O=c1(nH)c(SCc2ccc(cc2)C(C)(C)C)nc2c1oc1c2cccc1
ZINC000067259863
ZINC67259863

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Available files

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