Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722413
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCC(=O)c1ccc(cc1)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 C27H23ClN4O3S2 MW 551.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3S2/c1-35-19-13-11-18(12-14-19)31-24(34)23-20-5-3-2-4-6-22(20)37-25(23)32-26(31)29-30-27(32)36-15-21(33)16-7-9-17(28)10-8-16/h7-14H,2-6,15H2,1H3InChIKey
XLDPFTSNVWPUCE-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)SC6=C3CCCCC6
InChI=1SC27H23ClN4O3S2c13519131118(121419)3124(34)23205324622(20)3725(23)3226(31)293027(32)361521(33)167917(28)10816h714H2615H21H3
MFCD01955161
ZINC000001802470
ZINC01802470
ZINC1802470
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