Vitas-M small molecule compound
N-(3-chlorophenyl)-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]acetamide
Catalog ID
STK586155
SMILES O=C(Nc1cccc(c1)Cl)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 C21H18ClN7O2S2 MW 500.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN7O2S2/c1-21(2)7-13-14(8-31-21)33-18-16(13)17-23-10-24-29(17)19-26-27-20(28(18)19)32-9-15(30)25-12-5-3-4-11(22)6-12/h3-6,10H,7-9H2,1-2H3,(H,25,30)InChIKey
YWLDKTNDHXNLIZ-UHFFFAOYSA-NSynonyms
877622-48-5877622485
CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)NC6=CC(=CC=C6)Cl)C
InChI=1SC21H18ClN7O2S2c121(2)71314(83121)331816(13)1723102429(17)19262720(28(18)19)32915(30)251253411(22)612h3610H79H212H3(H2530)
MFCD05706429
N(3chlorophenyl)2((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)acetamide
N(3chlorophenyl)2((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)acetamide
ZINC000009347727
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