Vitas-M small molecule compound
2-{[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N,N-diphenylacetamide
Catalog ID
STK552319
SMILES CCCCc1nc2sc3c(c2c2c1CCC2)nc(nc3SCC(=O)N(c1ccccc1)c1ccccc1)SC
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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 C31H30N4OS3 MW 570.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS3/c1-3-4-18-24-22-16-11-17-23(22)26-27-28(39-29(26)32-24)30(34-31(33-27)37-2)38-19-25(36)35(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15H,3-4,11,16-19H2,1-2H3InChIKey
YNFRJVBKJSQZBC-UHFFFAOYSA-NSynonyms
2((4butyl9(methylsulfanyl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)sulfanyl)NNdiphenylacetamide
2((4butyl9(methylthio)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)thio)NNdiphenylacetamide
CCCCC1=C2CCCC2=C3C4=C(C(=NC(=N4)SC)SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)SC3=N1
InChI=1SC31H30N4OS3c13418242216111723(22)262728(3929(26)3224)30(3431(3327)372)381925(36)35(20127581320)211496101521h5101215H34111619H212H3
MFCD03689431
ZINC000002604126
ZINC2604126
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