Vitas-M small molecule compound
3-(4-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL338755
SMILES Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)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 C21H21ClN2O2S2 MW 432.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S2/c1-21(2,3)16(25)11-27-20-23-18-17(14-5-4-6-15(14)28-18)19(26)24(20)13-9-7-12(22)8-10-13/h7-10H,4-6,11H2,1-3H3InChIKey
FHBYIBUQNKHIRP-UHFFFAOYSA-NSynonyms
676464-01-02(4chlorophenyl)3(33dimethyl2oxobutyl)sulfanyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
3(4chlorophenyl)2((33dimethyl2oxobutyl)sulfanyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
3(4chlorophenyl)2((33dimethyl2oxobutyl)thio)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
676464010
CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)Cl
InChI=1SC21H21ClN2O2S2c121(23)16(25)112720231817(1454615(14)2818)19(26)24(20)139712(22)81013h710H4611H213H3
MFCD03224690
ZINC000002506999
ZINC02506999
ZINC2506999
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