Vitas-M small molecule compound
1-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-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
STK721036
SMILES Cc1ccc(cc1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCc1ccc(c(c1)Cl)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)21-11-18-22(12-35-21)37-25-23(18)24(34)32(17-7-4-15(3)5-8-17)26-30-31-27(33(25)26)36-13-16-6-9-19(28)20(29)10-16/h4-10,14,21H,11-13H2,1-3H3InChIKey
CQQFQLAERSJEAZ-UHFFFAOYSA-NSynonyms
1((34dichlorobenzyl)sulfanyl)4(4methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((34dichlorobenzyl)thio)7isopropyl4(ptolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC(=C(C=C5)Cl)Cl)SC6=C3CC(OC6)C(C)C
InChI=1SC27H24Cl2N4O2S2c114(2)21111822(123521)372523(18)24(34)32(177415(3)5817)26303127(33(25)26)3613166919(28)20(29)1016h4101421H1113H213H3
MFCD03285877
ZINC000002586976
ZINC000002586977
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