Vitas-M small molecule compound
2-{[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoic acid
Catalog ID
STK540239
SMILES Cc1cccc(c1)n1c(SC(C(=O)O)C)nc2c(c1=O)c1CCCCc1s2
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-11-6-5-7-13(10-11)22-18(23)16-14-8-3-4-9-15(14)27-17(16)21-20(22)26-12(2)19(24)25/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,24,25)InChIKey
FFUCJHMHQWLLAX-UHFFFAOYSA-NSynonyms
383899-31-82((3(3methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoicacid
2((3(3methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoicacid
2((4oxo3(mtolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)propanoicacid
383899318
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)O)SC4=C3CCCC4
InChI=1SC20H20N2O3S2c11165713(1011)2218(23)1614834915(14)2717(16)2120(22)2612(2)19(24)25h571012H3489H212H3(H2425)
MFCD03283785
ZINC000004871838
ZINC000004871839
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