Vitas-M small molecule compound
2-[4-(benzyloxy)phenyl]-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382483
SMILES O=C1NC(Nc2c1c1CCC(Cc1s2)C(C)(C)C)c1ccc(cc1)OCc1ccccc1
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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 C27H30N2O2S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S/c1-27(2,3)19-11-14-21-22(15-19)32-26-23(21)25(30)28-24(29-26)18-9-12-20(13-10-18)31-16-17-7-5-4-6-8-17/h4-10,12-13,19,24,29H,11,14-16H2,1-3H3,(H,28,30)InChIKey
YYVVLIYYXWRGTF-UHFFFAOYSA-NSynonyms
2(4(benzyloxy)phenyl)7tertbutyl235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(4phenylmethoxyphenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC27H30N2O2Sc127(23)1911142122(1519)322623(21)25(30)2824(2926)1891220(131018)3116177546817h4101213192429H111416H213H3(H2830)
MFCD02916193
ZINC000017085920
ZINC000017085923
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