Vitas-M small molecule compound
1-[(2,4-dichlorobenzyl)sulfanyl]-4-(3-methylphenyl)-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
STK552903
SMILES Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCc1ccc(cc1Cl)Cl)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 C27H24Cl2N4O2S2 MW 571.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N4O2S2/c1-14(2)21-11-19-22(12-35-21)37-25-23(19)24(34)32(18-6-4-5-15(3)9-18)26-30-31-27(33(25)26)36-13-16-7-8-17(28)10-20(16)29/h4-10,14,21H,11-13H2,1-3H3InChIKey
YTYJIVLFZIBGTD-UHFFFAOYSA-NSynonyms
1((24dichlorobenzyl)sulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((24dichlorobenzyl)thio)7isopropyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=C(C=C(C=C5)Cl)Cl)SC6=C3CC(OC6)C(C)C
InChI=1SC27H24Cl2N4O2S2c114(2)21111922(123521)372523(19)24(34)32(1864515(3)918)26303127(33(25)26)3613167817(28)1020(16)29h4101421H1113H213H3
MFCD03692710
ZINC000002613108
ZINC000002613109
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