Vitas-M small molecule compound
methyl 3-{[3-(4-methoxyphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Catalog ID
STK722093
SMILES COC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCC3
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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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-25-13-8-6-12(7-9-13)22-19(24)17-14-4-3-5-15(14)28-18(17)21-20(22)27-11-10-16(23)26-2/h6-9H,3-5,10-11H2,1-2H3InChIKey
DUXOBBOLHFIVAI-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(=O)OC)SC4=C3CCC4
InChI=1SC20H20N2O4S2c125138612(7913)2219(24)171443515(14)2818(17)2120(22)27111016(23)262h69H351011H212H3
methyl3((2(4methoxyphenyl)1oxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)propanoate
methyl3((3(4methoxyphenyl)4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl3((3(4methoxyphenyl)4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD01960583
ZINC000000754054
ZINC00754054
ZINC754054
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