Vitas-M small molecule compound
ethyl [(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
STK015248
SMILES CCOC(=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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-4-29-16(27)12-31-21-24-23-20-25(13-8-6-5-7-9-13)18(28)17-14-10-22(2,3)30-11-15(14)32-19(17)26(20)21/h5-9H,4,10-12H2,1-3H3InChIKey
DWBBMVITJKKQRZ-UHFFFAOYSA-NSynonyms
330827-49-1330827491
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=CC=C5
CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C
ethyl((77dimethyl5oxo4phenyl4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((77dimethyl5oxo4phenyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O4S2c142916(27)12312124232025(138657913)18(28)17141022(23)301115(14)3219(17)26(20)21h59H41012H213H3
MFCD01559166
STK015248
ZINC000001004763
ZINC01004763
ZINC1004763
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