Vitas-M small molecule compound
1-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7-(propan-2-yl)-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
STK550284
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCc1c(Cl)cccc1Cl
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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 C27H24Cl2N4O3S2 MW 587.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N4O3S2/c1-14(2)21-11-17-22(12-36-21)38-25-23(17)24(34)32(15-7-9-16(35-3)10-8-15)26-30-31-27(33(25)26)37-13-18-19(28)5-4-6-20(18)29/h4-10,14,21H,11-13H2,1-3H3InChIKey
SUGFWMUHDANAEU-UHFFFAOYSA-NSynonyms
1((26dichlorobenzyl)sulfanyl)4(4methoxyphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((26dichlorobenzyl)thio)7isopropyl4(4methoxyphenyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=C(C=CC=C5Cl)Cl)C6=CC=C(C=C6)OC
InChI=1SC27H24Cl2N4O3S2c114(2)21111722(123621)382523(17)24(34)32(157916(353)10815)26303127(33(25)26)37131819(28)54620(18)29h4101421H1113H213H3
MFCD03691384
ZINC000001826234
ZINC000001826235
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