Vitas-M small molecule compound
methyl {[5-oxo-4-phenyl-7-(propan-2-yl)-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
STK835975
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)C(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(2)15-9-14-16(10-30-15)32-20-18(14)19(28)25(13-7-5-4-6-8-13)21-23-24-22(26(20)21)31-11-17(27)29-3/h4-8,12,15H,9-11H2,1-3H3InChIKey
QANRHDQKBGTNTM-UHFFFAOYSA-NSynonyms
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)OC)C5=CC=CC=C5
InChI=1SC22H22N4O4S2c112(2)1591416(103015)322018(14)19(28)25(137546813)21232422(26(20)21)311117(27)293h481215H911H213H3
methyl((5oxo4phenyl7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((7isopropyl5oxo4phenyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD02993872
ZINC000001405993
ZINC000001405995
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