Vitas-M small molecule compound
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL306205
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)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/c1-3-11-23-20(25)18-15-5-4-6-17(15)28-19(18)22-21(23)27-12-16(24)13-7-9-14(26-2)10-8-13/h3,7-10H,1,4-6,11-12H2,2H3InChIKey
QRBMJHMEYIAWHB-UHFFFAOYSA-NSynonyms
379247-73-12((2(4methoxyphenyl)2oxoethyl)sulfanyl)3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
3(2(4methoxyphenyl)2oxoethyl)sulfanyl2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
379247731
3allyl2((2(4methoxyphenyl)2oxoethyl)thio)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C
InChI=1SC21H20N2O3S2c13112320(25)181554617(15)2819(18)2221(23)271216(24)137914(262)10813h3710H1461112H22H3
MFCD02654697
ZINC000002087835
ZINC02087835
ZINC2087835
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