Vitas-M small molecule compound

ethyl [(5-oxo-4-phenyl-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate

Catalog ID
STK524419
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCCC3

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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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-2-29-17(27)13-30-22-24-23-21-25(14-9-5-3-6-10-14)19(28)18-15-11-7-4-8-12-16(15)31-20(18)26(21)22/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKey
DUEOVBBOTRKTCI-UHFFFAOYSA-N
Synonyms
372085-84-2
372085842
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5
ethyl((5oxo4phenyl4578910hexahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((5oxo4phenyl5678910hexahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O3S2c122917(27)13302224232125(1495361014)19(28)1815117481216(15)3120(18)26(21)22h356910H24781113H21H3
MFCD01876604
ZINC000002271934
ZINC02271934
ZINC2271934

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Available files

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