Vitas-M small molecule compound
{[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid
Catalog ID
STL304355
SMILES CSc1nc(SCC(=O)O)c2c(n1)c1c(s2)nc(c2c1CCC2)c1ccccc1
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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 C21H17N3O2S3 MW 439.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)InChIKey
RYIBMIRKLHXWMK-UHFFFAOYSA-NSynonyms
848734-95-2((9(methylsulfanyl)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)sulfanyl)aceticacid
2((9(methylthio)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)thio)aceticacid
848734952
CSC1=NC2=C(C(=N1)SCC(=O)O)SC3=NC(=C4CCCC4=C23)C5=CC=CC=C5
InChI=1SC21H17N3O2S3c127212317151285913(12)16(116324711)2219(15)2918(17)20(2421)281014(25)26h2467H5810H21H3(H2526)
MFCD04194350
ZINC000002430890
ZINC2430890
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