Vitas-M small molecule compound
methyl {[4-(4-methoxyphenyl)-7,7-dimethyl-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
STK805078
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C22H22N4O5S2 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S2/c1-22(2)9-14-15(10-31-22)33-19-17(14)18(28)25(12-5-7-13(29-3)8-6-12)20-23-24-21(26(19)20)32-11-16(27)30-4/h5-8H,9-11H2,1-4H3InChIKey
VOCHIYSWMYFDAD-UHFFFAOYSA-NSynonyms
306966-84-7306966847
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)OC)C5=CC=C(C=C5)OC)C
InChI=1SC22H22N4O5S2c122(2)91415(103122)331917(14)18(28)25(125713(293)8612)20232421(26(19)20)321116(27)304h58H911H214H3
methyl((4(4methoxyphenyl)77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((4(4methoxyphenyl)77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01907421
ZINC000002183418
ZINC02183418
ZINC2183418
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