Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-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
STK722410
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCC(=O)c1ccccc1
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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 C27H24N4O3S2 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S2/c1-34-19-14-12-18(13-15-19)30-24(33)23-20-10-6-3-7-11-22(20)36-25(23)31-26(30)28-29-27(31)35-16-21(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3InChIKey
CAIDGUCNYASWTM-UHFFFAOYSA-NSynonyms
4(4methoxyphenyl)1((2oxo2phenylethyl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4methoxyphenyl)1((2oxo2phenylethyl)thio)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=CC=C5)SC6=C3CCCCC6
InChI=1SC27H24N4O3S2c13419141218(131519)3024(33)2320106371122(20)3625(23)3126(30)282927(31)351621(32)178425917h245891215H367101116H21H3
MFCD01995984
ZINC000002293933
ZINC02293933
ZINC2293933
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