Vitas-M small molecule compound

2-{[4-(4-methoxyphenyl)-5-oxo-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}acetamide

Catalog ID
STK722408
SMILES COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=O)N

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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 C21H21N5O3S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S2/c1-29-13-9-7-12(8-10-13)25-18(28)17-14-5-3-2-4-6-15(14)31-19(17)26-20(25)23-24-21(26)30-11-16(22)27/h7-10H,2-6,11H2,1H3,(H2,22,27)
InChIKey
NPBONLNWZNGRKQ-UHFFFAOYSA-N
Synonyms
351005-25-9
2((4(4methoxyphenyl)5oxo4578910hexahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
2((4(4methoxyphenyl)5oxo5678910hexahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
351005259
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CCCCC5
InChI=1SC21H21N5O3S2c129139712(81013)2518(28)17145324615(14)3119(17)2620(25)232421(26)301116(22)27h710H2611H21H3(H22227)
MFCD01947940
ZINC000002281164
ZINC02281164
ZINC2281164

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Available files

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