Vitas-M small molecule compound
2,2'-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]bis[N-(4-methoxyphenyl)acetamide]
Catalog ID
STK543703
SMILES COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccc(cc2)OC)nn1)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 C32H32N8O5S3 MW 704.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N8O5S3/c1-5-32(2)14-22-23(15-45-32)48-28-26(22)27-35-37-30(46-16-24(41)33-18-6-10-20(43-3)11-7-18)39(27)29-36-38-31(40(28)29)47-17-25(42)34-19-8-12-21(44-4)13-9-19/h6-13H,5,14-17H2,1-4H3,(H,33,41)(H,34,42)InChIKey
YQUOYWGNCAUTTE-UHFFFAOYSA-NSynonyms
22((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(N(4methoxyphenyl)acetamide)
22((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyl)disulfanediyl)bis(N(4methoxyphenyl)acetamide)
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)NC6=CC=C(C=C6)OC)SCC(=O)NC7=CC=C(C=C7)OC)C
InChI=1SC32H32N8O5S3c1532(2)142223(154532)482826(22)27353730(461624(41)331861020(433)11718)39(27)29363831(40(28)29)471725(42)341981221(444)13919h613H51417H214H3(H3341)(H3442)
MFCD03302136
ZINC000150425768
ZINC000150425770
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