Vitas-M small molecule compound
2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-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-phenylbutan-2-yl)acetamide
Catalog ID
STK558707
SMILES CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)CC
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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 C28H35N5O2S3 MW 569.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O2S3/c1-5-14-36-26-30-25-23(20-15-28(4,6-2)35-16-21(20)38-25)24-31-32-27(33(24)26)37-17-22(34)29-18(3)12-13-19-10-8-7-9-11-19/h7-11,18H,5-6,12-17H2,1-4H3,(H,29,34)InChIKey
NHLIADFDSOSPNH-UHFFFAOYSA-NSynonyms
2((10ethyl10methyl5(propylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((10ethyl10methyl5(propylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4phenylbutan2yl)acetamide
CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C4=NN=C(N41)SCC(=O)NC(C)CCC5=CC=CC=C5
InChI=1SC28H35N5O2S3c15143626302523(201528(462)351621(20)3825)24313227(33(24)26)371722(34)2918(3)121319108791119h71118H561217H214H3(H2934)
MFCD04034110
ZINC000001875561
ZINC000001875564
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