Vitas-M small molecule compound
4-(3-chlorophenyl)-1-[(2,4-dichlorobenzyl)sulfanyl]-7,7-dimethyl-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
STK720455
SMILES Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(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 C25H19Cl3N4O2S2 MW 577.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl3N4O2S2/c1-25(2)10-17-19(11-34-25)36-22-20(17)21(33)31(16-5-3-4-14(26)8-16)23-29-30-24(32(22)23)35-12-13-6-7-15(27)9-18(13)28/h3-9H,10-12H2,1-2H3InChIKey
WPSNFULRPRJTHQ-UHFFFAOYSA-NSynonyms
4(3chlorophenyl)1((24dichlorobenzyl)sulfanyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(3chlorophenyl)1((24dichlorobenzyl)thio)77dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=C(C=C(C=C5)Cl)Cl)C6=CC(=CC=C6)Cl)C
InChI=1SC25H19Cl3N4O2S2c125(2)101719(113425)362220(17)21(33)31(1653414(26)816)23293024(32(22)23)3512136715(27)918(13)28h39H1012H212H3
MFCD04032243
ZINC000001896803
ZINC01896803
ZINC1896803
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