Vitas-M small molecule compound
methyl 4-({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoate
Catalog ID
STL079592
SMILES C=CCn1c(SCc2ccc(cc2)C(=O)OC)nc2c(c1=O)c1CCCc1s2
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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 C21H20N2O3S2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S2/c1-3-11-23-19(24)17-15-5-4-6-16(15)28-18(17)22-21(23)27-12-13-7-9-14(10-8-13)20(25)26-2/h3,7-10H,1,4-6,11-12H2,2H3InChIKey
UAWOWYODOZLTMY-UHFFFAOYSA-NSynonyms
327094-64-4327094644
COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C
InChI=1SC21H20N2O3S2c13112319(24)171554616(15)2818(17)2221(23)2712137914(10813)20(25)262h3710H1461112H22H3
methyl4(((4oxo3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoate
methyl4((1oxo2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanylmethyl)benzoate
MFCD02659633
ZINC000000950760
ZINC00950760
ZINC950760
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