Vitas-M small molecule compound
methyl {[5-(2-chlorophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Catalog ID
STK844630
SMILES COC(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl
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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 C20H17ClN4O2S2 MW 444.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S2/c1-27-15(26)10-28-20-24-23-18-16-12-7-3-5-9-14(12)29-19(16)22-17(25(18)20)11-6-2-4-8-13(11)21/h2,4,6,8H,3,5,7,9-10H2,1H3InChIKey
NNDXTCPDGUNIOL-UHFFFAOYSA-NSynonyms
713113-65-6713113656
COC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5Cl
InChI=1SC20H17ClN4O2S2c12715(26)1028202423181612735914(12)2919(16)2217(25(18)20)11624813(11)21h2468H357910H21H3
methyl((5(2chlorophenyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((5(2chlorophenyl)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD03677786
ZINC000002221803
ZINC02221803
ZINC2221803
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