Vitas-M small molecule compound
4-benzyl-1-[(3,4-dichlorobenzyl)sulfanyl]-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
STK541245
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccc(c(c3)Cl)Cl)nnc2n(c1=O)Cc1ccccc1)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 C27H24Cl2N4O2S2 MW 571.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N4O2S2/c1-15(2)21-11-18-22(13-35-21)37-25-23(18)24(34)32(12-16-6-4-3-5-7-16)26-30-31-27(33(25)26)36-14-17-8-9-19(28)20(29)10-17/h3-10,15,21H,11-14H2,1-2H3InChIKey
HLAYPVJMBCDINM-UHFFFAOYSA-NSynonyms
4benzyl1((34dichlorobenzyl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1((34dichlorobenzyl)thio)7isopropyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC(=C(C=C5)Cl)Cl)CC6=CC=CC=C6
InChI=1SC27H24Cl2N4O2S2c115(2)21111822(133521)372523(18)24(34)32(12166435716)26303127(33(25)26)3614178919(28)20(29)1017h3101521H1114H212H3
MFCD03008882
ZINC000001737678
ZINC000001737685
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