Vitas-M small molecule compound
2-[(4-tert-butylbenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK023943
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)c1CCCCc1s2
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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 C29H32N2O2S2 MW 504.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O2S2/c1-5-33-22-16-14-21(15-17-22)31-27(32)25-23-8-6-7-9-24(23)35-26(25)30-28(31)34-18-19-10-12-20(13-11-19)29(2,3)4/h10-17H,5-9,18H2,1-4H3InChIKey
QXXKRSVHZHRYOQ-UHFFFAOYSA-NSynonyms
477318-98-22((4(tertbutyl)benzyl)thio)3(4ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((4tertbutylbenzyl)sulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
477318982
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(C)(C)C)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC29H32N2O2S2c153322161421(151722)3127(32)2523867924(23)3526(25)3028(31)341819101220(131119)29(23)4h1017H5918H214H3
MFCD03474435
STK023943
ZINC000001819258
ZINC01819258
ZINC1819258
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