Vitas-M small molecule compound
1-[(2-chlorobenzyl)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
STK549062
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccccc3Cl)nnc2n(c1=O)c1cccc(c1)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 C27H25ClN4O2S2 MW 537.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O2S2/c1-15(2)21-12-19-22(13-34-21)36-25-23(19)24(33)31(18-9-6-7-16(3)11-18)26-29-30-27(32(25)26)35-14-17-8-4-5-10-20(17)28/h4-11,15,21H,12-14H2,1-3H3InChIKey
KDVBYTLXFMSHOY-UHFFFAOYSA-NSynonyms
836626-25-61((2chlorobenzyl)sulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2chlorobenzyl)thio)7isopropyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
836626256
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=CC=C5Cl)SC6=C3CC(OC6)C(C)C
InChI=1SC27H25ClN4O2S2c115(2)21121922(133421)362523(19)24(33)31(1896716(3)1118)26293027(32(25)26)3514178451020(17)28h4111521H1214H213H3
MFCD03688248
ZINC000097952309
ZINC000097952310
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