Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530808
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1ccc2c(c1)OCO2
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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 C27H24N4O5S2 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S2/c1-27(2)11-18-21(12-36-27)38-24-22(18)23(32)30(16-5-7-17(33-3)8-6-16)25-28-29-26(31(24)25)37-13-15-4-9-19-20(10-15)35-14-34-19/h4-10H,11-14H2,1-3H3InChIKey
XOAIJWFGRHIWRF-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)4(4methoxyphenyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4(4methoxyphenyl)77dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)OC)C
InChI=1SC27H24N4O5S2c127(2)111821(123627)382422(18)23(32)30(165717(333)8616)25282926(31(24)25)371315491920(1015)35143419h410H1114H213H3
ZINC000001251378
ZINC01251378
ZINC1251378
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