Vitas-M small molecule compound
4-(7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl 4-methoxybenzoate
Catalog ID
STK382645
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)OC)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-29(2,3)18-9-12-20-23(15-18)37-27-24(20)26(32)30-25(31-27)17-8-13-21(22(14-17)35-5)36-28(33)16-6-10-19(34-4)11-7-16/h6-8,10-11,13-14,18,25,31H,9,12,15H2,1-5H3,(H,30,32)InChIKey
OBXHKUHVXDTBRN-UHFFFAOYSA-NSynonyms
(4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)2methoxyphenyl)4methoxybenzoate
4(7tertbutyl4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenyl4methoxybenzoate
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)OC)OC
InChI=1SC29H32N2O5Sc129(23)189122023(1518)372724(20)26(32)3025(3127)1781321(22(1417)355)3628(33)1661019(344)11716h6810111314182531H91215H215H3(H3032)
MFCD03037642
ZINC000017086040
ZINC000017086043
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