Vitas-M small molecule compound
6-(2-methoxybenzyl)-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Catalog ID
STL128955
SMILES COc1ccccc1CN1CCc2c(C1)c(=O)[nH]c(n2)SCC(=O)N1CCOc2c1cc(C)cc2
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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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-17-7-8-23-21(13-17)30(11-12-34-23)24(31)16-35-26-27-20-9-10-29(15-19(20)25(32)28-26)14-18-5-3-4-6-22(18)33-2/h3-8,13H,9-12,14-16H2,1-2H3,(H,27,28,32)InChIKey
WWIQGYZXYSWJNW-UHFFFAOYSA-NSynonyms
6((2methoxyphenyl)methyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanyl1578tetrahydropyrido(43d)pyrimidin4one
6(2methoxybenzyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)5678tetrahydropyrido(43d)pyrimidin4(3H)one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=O)C4=C(N3)CCN(C4)CC5=CC=CC=C5OC
COc1ccccc1CN1CCc2c(C1)c(=O)(nH)c(n2)SCC(=O)N1CCOc2c1cc(C)cc2
InChI=1SC26H28N4O4Sc117782321(1317)30(11123423)24(31)163526272091029(1519(20)25(32)2826)1418534622(18)332h3813H9121416H212H3(H272832)
MFCD20742869
ZINC000067291369
ZINC67291369
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