Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-7-methyl-4-phenyl-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
STK526349
SMILES CCC1(C)OCc2c(C1)c1c(=O)n(c3ccccc3)c3n(c1s2)c(SCC(=O)c1ccc(cc1)Cl)nn3
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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/c1-3-27(2)13-19-21(14-35-27)37-24-22(19)23(34)31(18-7-5-4-6-8-18)25-29-30-26(32(24)25)36-15-20(33)16-9-11-17(28)12-10-16/h4-12H,3,13-15H2,1-2H3InChIKey
HHVDGQKCJRGBFX-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)7ethyl7methyl4phenyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)7ethyl7methyl4phenyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6)C
InChI=1SC27H23ClN4O3S2c1327(2)131921(143527)372422(19)23(34)31(187546818)25293026(32(24)25)361520(33)1691117(28)121016h412H31315H212H3
MFCD01949739
ZINC000002604877
ZINC000002604878
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