Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Catalog ID
STK558114
SMILES COc1cc(OC)ccc1NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1
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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 C27H25N5O3S3 MW 563.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S3/c1-34-17-11-12-19(20(13-17)35-2)28-22(33)15-37-27-31-30-24-23-18-9-6-10-21(18)38-25(23)29-26(32(24)27)36-14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,28,33)InChIKey
OMTPESXHHDIYPE-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(24dimethoxyphenyl)acetamide
2((5(benzylthio)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(24dimethoxyphenyl)acetamide
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCC5)SCC6=CC=CC=C6)OC
InChI=1SC27H25N5O3S3c13417111219(20(1317)352)2822(33)1537273130242318961021(18)3825(23)2926(32(24)27)3614167435816h35781113H69101415H212H3(H2833)
MFCD04030216
ZINC000001897717
ZINC01897717
ZINC1897717
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