Vitas-M small molecule compound
N-(4-methoxyphenyl)-2-{[10-(methylsulfanyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Catalog ID
STK721650
SMILES CSc1nc(SCC(=O)Nc2ccc(cc2)OC)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 C26H28N4O2S3 MW 524.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O2S3/c1-14(2)21-18-8-6-5-7-17(18)20-22-23(35-24(20)28-21)25(30-26(29-22)33-4)34-13-19(31)27-15-9-11-16(32-3)12-10-15/h9-12,14H,5-8,13H2,1-4H3,(H,27,31)InChIKey
YBXLJSNFEICVJF-UHFFFAOYSA-NSynonyms
799833-40-22((5isopropyl10(methylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)N(4methoxyphenyl)acetamide
799833402
CC(C)C1=C2CCCCC2=C3C4=C(C(=NC(=N4)SC)SCC(=O)NC5=CC=C(C=C5)OC)SC3=N1
InChI=1SC26H28N4O2S3c114(2)2118865717(18)202223(3524(20)2821)25(3026(2922)334)341319(31)271591116(323)121015h91214H5813H214H3(H2731)
MFCD03684776
N(4methoxyphenyl)2((10(methylsulfanyl)5(propan2yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetamide
ZINC000002246428
ZINC02246428
ZINC2246428
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