Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK720344
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
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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 C29H29N5O3S3 MW 591.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S3/c1-4-36-20-12-10-19(11-13-20)30-23(35)17-39-28-33-32-25-24-21-14-29(2,3)37-15-22(21)40-26(24)31-27(34(25)28)38-16-18-8-6-5-7-9-18/h5-13H,4,14-17H2,1-3H3,(H,30,35)InChIKey
OHOGGMWOOFKFOY-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4ethoxyphenyl)acetamide
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)COC(C5)(C)C)SCC6=CC=CC=C6
InChI=1SC29H29N5O3S3c143620121019(111320)3023(35)17392833322524211429(23)371522(21)4026(24)3127(34(25)28)3816188657918h513H41417H213H3(H3035)
MFCD04073498
ZINC000001839208
ZINC01839208
ZINC1839208
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