Vitas-M small molecule compound
4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK383839
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1cc(OC)c(c(c1)OC)OC)O)(C)C
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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 C31H36N2O6S MW 564.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O6S/c1-7-31(2,3)19-10-13-21-24(16-19)40-29-25(21)28(34)32-27(33-29)17-8-11-20(12-9-17)39-30(35)18-14-22(36-4)26(38-6)23(15-18)37-5/h8-9,11-12,14-15,19,27,33H,7,10,13,16H2,1-6H3,(H,32,34)InChIKey
DZBBJWWGCVERAE-UHFFFAOYSA-NSynonyms
(4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)345trimethoxybenzoate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl345trimethoxybenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC31H36N2O6Sc1731(23)1910132124(1619)402925(21)28(34)3227(3329)1781120(12917)3930(35)181422(364)26(386)23(1518)375h8911121415192733H7101316H216H3(H3234)
MFCD03848749
ZINC000102091956
ZINC000102091970
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