Vitas-M small molecule compound
methyl 3-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Catalog ID
STK525248
SMILES COC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3
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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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-26-14-9-7-13(8-10-14)23-20(25)18-15-5-3-4-6-16(15)29-19(18)22-21(23)28-12-11-17(24)27-2/h7-10H,3-6,11-12H2,1-2H3InChIKey
UPOBGKVKLNFFAE-UHFFFAOYSA-NSynonyms
373615-52-2373615522
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCC(=O)OC)SC4=C3CCCC4
InChI=1SC21H22N2O4S2c126149713(81014)2320(25)1815534616(15)2919(18)2221(23)28121117(24)272h710H361112H212H3
methyl3((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl3((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)propanoate
methyl3((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoate
MFCD01948806
ZINC000002281671
ZINC02281671
ZINC2281671
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