Vitas-M small molecule compound
N-(3-methoxyphenyl)-2-{[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}acetamide
Catalog ID
STK721474
SMILES COc1cccc(c1)NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(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 C27H28N6O2S2 MW 532.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O2S2/c1-15(2)11-20-18-9-4-5-10-19(18)22-23-24(37-26(22)30-20)25-31-32-27(33(25)14-28-23)36-13-21(34)29-16-7-6-8-17(12-16)35-3/h6-8,12,14-15H,4-5,9-11,13H2,1-3H3,(H,29,34)InChIKey
ZPTMIPUVZZTZLV-UHFFFAOYSA-NSynonyms
489404-38-82((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)N(3methoxyphenyl)acetamide
489404388
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)NC6=CC(=CC=C6)OC)SC3=N1
InChI=1SC27H28N6O2S2c115(2)1120189451019(18)222324(3726(22)3020)25313227(33(25)142823)361321(34)291676817(1216)353h68121415H4591113H213H3(H2934)
MFCD03296141
N(3methoxyphenyl)2((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetamide
ZINC000001302708
ZINC01302708
ZINC1302708
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