Vitas-M small molecule compound
1-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-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
STK720466
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1ccc(cc1Cl)Cl
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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 C26H22Cl2N4O3S2 MW 573.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N4O3S2/c1-26(2)11-18-20(12-35-26)37-23-21(18)22(33)31(16-6-8-17(34-3)9-7-16)24-29-30-25(32(23)24)36-13-14-4-5-15(27)10-19(14)28/h4-10H,11-13H2,1-3H3InChIKey
HCWVRVIYWKQKRE-UHFFFAOYSA-NSynonyms
1((24dichlorobenzyl)sulfanyl)4(4methoxyphenyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((24dichlorobenzyl)thio)4(4methoxyphenyl)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=C(C=C6)OC)C
InChI=1SC26H22Cl2N4O3S2c126(2)111820(123526)372321(18)22(33)31(166817(343)9716)24293025(32(23)24)3613144515(27)1019(14)28h410H1113H213H3
MFCD03687674
ZINC000001899338
ZINC01899338
ZINC1899338
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