Vitas-M small molecule compound
methyl [(7,7-dimethyl-5-oxo-4-phenyl-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
STL296627
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C21H20N4O4S2 MW 456.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S2/c1-21(2)9-13-14(10-29-21)31-18-16(13)17(27)24(12-7-5-4-6-8-12)19-22-23-20(25(18)19)30-11-15(26)28-3/h4-8H,9-11H2,1-3H3InChIKey
YOHBDMQWCSVCFS-UHFFFAOYSA-NSynonyms
351006-82-1351006821
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)OC)C5=CC=CC=C5)C
InChI=1SC21H20N4O4S2c121(2)91314(102921)311816(13)17(27)24(127546812)19222320(25(18)19)301115(26)283h48H911H213H3
methyl((77dimethyl5oxo4phenyl4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((77dimethyl5oxo4phenyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01562064
ZINC000002476473
ZINC02476473
ZINC2476473
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