Vitas-M small molecule compound
2-[(4-benzyl-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]acetamide
Catalog ID
STK699028
SMILES NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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 C21H21N5O3S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S2/c1-21(2)8-13-14(10-29-21)31-18-16(13)17(28)25(9-12-6-4-3-5-7-12)19-23-24-20(26(18)19)30-11-15(22)27/h3-7H,8-11H2,1-2H3,(H2,22,27)InChIKey
AQWSXMJNVZVXEO-UHFFFAOYSA-NSynonyms
306740-14-72((4benzyl77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
2((4benzyl77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
306740147
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)N)CC5=CC=CC=C5)C
InChI=1SC21H21N5O3S2c121(2)81314(102921)311816(13)17(28)25(9126435712)19232420(26(18)19)301115(22)27h37H811H212H3(H22227)
MFCD01878523
ZINC000002274537
ZINC02274537
ZINC2274537
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