Vitas-M small molecule compound
N-(4-ethoxyphenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Catalog ID
STK554755
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3
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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 C27H25N5O3S2 MW 531.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S2/c1-2-35-19-14-12-17(13-15-19)28-22(33)16-36-27-30-29-26-31(18-8-4-3-5-9-18)24(34)23-20-10-6-7-11-21(20)37-25(23)32(26)27/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,28,33)InChIKey
JCPKPWPCMIVVAC-UHFFFAOYSA-NSynonyms
840478-17-3840478173
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6
InChI=1SC27H25N5O3S2c123519141217(131519)2822(33)16362730292631(188435918)24(34)232010671121(20)3725(23)32(26)27h35891215H267101116H21H3(H2833)
MFCD04006286
N(4ethoxyphenyl)2((5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4ethoxyphenyl)2((5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000002263423
ZINC2263423
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