Vitas-M small molecule compound
2-{[10-(methylsulfanyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-N,N-diphenylacetamide
Catalog ID
STK550530
SMILES CSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CCCC2)C(C)C
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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/c1-19(2)26-23-17-11-10-16-22(23)25-27-28(39-29(25)32-26)30(34-31(33-27)37-3)38-18-24(36)35(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19H,10-11,16-18H2,1-3H3InChIKey
MKVFVCYTEUZMPD-UHFFFAOYSA-NSynonyms
2((10(methylsulfanyl)5(propan2yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)NNdiphenylacetamide
2((5isopropyl10(methylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)NNdiphenylacetamide
CC(C)C1=C2CCCCC2=C3C4=C(C(=NC(=N4)SC)SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)SC3=N1
InChI=1SC31H30N4OS3c119(2)26231711101622(23)252728(3929(25)3226)30(3431(3327)373)381824(36)35(20126471320)21148591521h49121519H10111618H213H3
MFCD03685368
ZINC000002593479
ZINC2593479
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