Vitas-M small molecule compound
7-ethyl-4,7-dimethyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532611
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=C)C)nnc2n(c1=O)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 C18H22N4O2S2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S2/c1-6-18(4)7-11-12(8-24-18)26-15-13(11)14(23)21(5)16-19-20-17(22(15)16)25-9-10(2)3/h2,6-9H2,1,3-5H3InChIKey
NTICGVCKUQRSCL-UHFFFAOYSA-NSynonyms
7ethyl47dimethyl1((2methylallyl)thio)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
7ethyl47dimethyl1((2methylprop2en1yl)sulfanyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=C)C)C)C
InChI=1SC18H22N4O2S2c1618(4)71112(82418)261513(11)14(23)21(5)16192017(22(15)16)25910(2)3h269H2135H3
MFCD02236724
ZINC000002295248
ZINC000002295249
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