Vitas-M small molecule compound
2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Catalog ID
STL239414
SMILES CC1CCN(CC1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2ncn1)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 C21H25N7O2S2 MW 471.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O2S2/c1-12-4-6-26(7-5-12)15(29)10-31-20-25-24-19-27(20)18-16(17-22-11-23-28(17)19)13-8-21(2,3)30-9-14(13)32-18/h11-12H,4-10H2,1-3H3InChIKey
JBEBJSZMYLEKRW-UHFFFAOYSA-NSynonyms
849826-35-32((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1(4methylpiperidin1yl)ethanone
2((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)1(4methylpiperidin1yl)ethanone
849826353
CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)COC(C5)(C)C)C6=NC=NN63
InChI=1SC21H25N7O2S2c1124626(7512)15(29)10312025241927(20)1816(1722112328(17)19)13821(23)30914(13)3218h1112H410H213H3
MFCD05688149
ZINC000009499884
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