Vitas-M small molecule compound
4-butyl-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
STK526638
SMILES CCCCn1c2nnc(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 C24H26N4O2S2 MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O2S2/c1-2-3-14-27-21(30)20-17-12-8-5-9-13-19(17)32-22(20)28-23(27)25-26-24(28)31-15-18(29)16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3InChIKey
BTSRXHBXOMCMQT-UHFFFAOYSA-NSynonyms
373372-62-4373372624
4butyl1((2oxo2phenylethyl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4butyl1((2oxo2phenylethyl)thio)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CCCCN1C(=O)C2=C(N3C1=NN=C3SCC(=O)C4=CC=CC=C4)SC5=C2CCCCC5
InChI=1SC24H26N4O2S2c123142721(30)2017128591319(17)3222(20)2823(27)252624(28)311518(29)16106471116h4671011H235891215H21H3
MFCD01946149
ZINC000002279746
ZINC02279746
ZINC2279746
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