Vitas-M small molecule compound
N-cyclohexyl-2-{[10,10-dimethyl-5-(methylsulfanyl)-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
STK595879
SMILES CSc1nc2sc3c(c2c2n1c(SCC(=O)NC1CCCCC1)nn2)CC(OC3)(C)C
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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 C21H27N5O2S3 MW 477.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S3/c1-21(2)9-13-14(10-28-21)31-18-16(13)17-24-25-20(26(17)19(23-18)29-3)30-11-15(27)22-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,22,27)InChIKey
XMJBWTKHWCKURT-UHFFFAOYSA-NSynonyms
902048-94-6902048946
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)NC5CCCCC5)C
InChI=1SC21H27N5O2S3c121(2)91314(102821)311816(13)17242520(26(17)19(2318)293)301115(27)22127546812h12H411H213H3(H2227)
MFCD03679579
Ncyclohexyl2((1010dimethyl5(methylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
Ncyclohexyl2((1010dimethyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000013571920
ZINC13571920
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