Vitas-M small molecule compound
N-(4-ethoxyphenyl)-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}acetamide
Catalog ID
STK558069
SMILES CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OCC)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 C26H31N5O3S3 MW 557.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O3S3/c1-5-12-35-24-28-23-21(18-13-26(4,6-2)34-14-19(18)37-23)22-29-30-25(31(22)24)36-15-20(32)27-16-8-10-17(11-9-16)33-7-3/h8-11H,5-7,12-15H2,1-4H3,(H,27,32)InChIKey
PRMLJVMEQYDHGF-UHFFFAOYSA-NSynonyms
CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C4=NN=C(N41)SCC(=O)NC5=CC=C(C=C5)OCC
InChI=1SC26H31N5O3S3c15123524282321(181326(462)341419(18)3723)22293025(31(22)24)361520(32)271681017(11916)3373h811H571215H214H3(H2732)
MFCD04029867
N(4ethoxyphenyl)2((10ethyl10methyl5(propylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
N(4ethoxyphenyl)2((10ethyl10methyl5(propylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000001898085
ZINC000001898086
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