Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK384854
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)O
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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-16-5-14-21-22(15-16)34-26-23(21)25(31)29-24(30-26)17-8-12-20(13-9-17)33-27(32)18-6-10-19(11-7-18)28(2,3)4/h6-13,16,24,30H,5,14-15H2,1-4H3,(H,29,31)InChIKey
XFLCFVRGFDABGL-UHFFFAOYSA-NSynonyms
(4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4tertbutylbenzoate
4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4tertbutylbenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC28H30N2O3Sc1165142122(1516)342623(21)25(31)2924(3026)1781220(13917)3327(32)1861019(11718)28(23)4h613162430H51415H214H3(H2931)
MFCD11853318
ZINC000015947671
ZINC000015947677
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