Vitas-M small molecule compound
2-[(4-tert-butylbenzyl)sulfanyl]-3-(3-methoxybenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL098542
SMILES COc1cccc(c1)Cn1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)oc1c2cccc1
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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 C29H28N2O3S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3S/c1-29(2,3)21-14-12-19(13-15-21)18-35-28-30-25-23-10-5-6-11-24(23)34-26(25)27(32)31(28)17-20-8-7-9-22(16-20)33-4/h5-16H,17-18H2,1-4H3InChIKey
OBAXWCUXIKQQOT-UHFFFAOYSA-NSynonyms
2((4tertbutylbenzyl)sulfanyl)3(3methoxybenzyl)(1)benzofuro(32d)pyrimidin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3((3methoxyphenyl)methyl)(1)benzofuro(32d)pyrimidin4one
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC(=CC=C4)OC)OC5=CC=CC=C53
InChI=1SC29H28N2O3Sc129(23)21141219(131521)18352830252310561124(23)3426(25)27(32)31(28)172087922(1620)334h516H1718H214H3
MFCD18789785
ZINC000067259832
ZINC67259832
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