Vitas-M small molecule compound
methyl {[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Catalog ID
STL240758
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-12-6-5-7-13(8-12)25-18(28)17-14-9-22(2,3)30-10-15(14)32-19(17)26-20(25)23-24-21(26)31-11-16(27)29-4/h5-8H,9-11H2,1-4H3InChIKey
WXGYOQJQSONGJY-UHFFFAOYSA-NSynonyms
371130-70-0371130700
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CC(OC5)(C)C
InChI=1SC22H22N4O4S2c11265713(812)2518(28)1714922(23)301015(14)3219(17)2620(25)232421(26)311116(27)294h58H911H214H3
methyl((77dimethyl4(3methylphenyl)5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((77dimethyl5oxo4(mtolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD03008356
ZINC000002314294
ZINC02314294
ZINC2314294
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