Vitas-M small molecule compound
N-(4-ethoxyphenyl)-2-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide
Catalog ID
STL135881
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc2n1cnc1c2c2CCCCCc2s1
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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 C22H23N5O2S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S2/c1-2-29-15-10-8-14(9-11-15)24-18(28)12-30-22-26-25-20-19-16-6-4-3-5-7-17(16)31-21(19)23-13-27(20)22/h8-11,13H,2-7,12H2,1H3,(H,24,28)InChIKey
WDKYVYODQXEAOP-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=NC4=C3C5=C(S4)CCCCC5
InChI=1SC22H23N5O2S2c12291510814(91115)2418(28)12302226252019166435717(16)3121(19)231327(20)22h81113H2712H21H3(H2428)
MFCD20754722
N(4ethoxyphenyl)2(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(43c)pyrimidin3ylsulfanyl)acetamide
ZINC000067350849
ZINC67350849
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