Vitas-M small molecule compound
{[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}acetic acid
Catalog ID
STK538761
SMILES COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=O)O
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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 C21H20N4O4S2 MW 456.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S2/c1-29-13-9-7-12(8-10-13)24-18(28)17-14-5-3-2-4-6-15(14)31-19(17)25-20(24)22-23-21(25)30-11-16(26)27/h7-10H,2-6,11H2,1H3,(H,26,27)InChIKey
QWCZTMQSJIOKBY-UHFFFAOYSA-NSynonyms
371117-80-5((4(4methoxyphenyl)5oxo4578910hexahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)aceticacid
2((4(4methoxyphenyl)5oxo5678910hexahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)aceticacid
371117805
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)O)SC5=C3CCCCC5
InChI=1SC21H20N4O4S2c129139712(81013)2418(28)17145324615(14)3119(17)2520(24)222321(25)301116(26)27h710H2611H21H3(H2627)
MFCD01947586
ZINC000002313769
ZINC2313769
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