Vitas-M small molecule compound
3-[(4-methoxyphenyl)amino]-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STL079753
SMILES COc1ccc(cc1)Nc1n[nH]c2n1c(=O)c1c(n2)sc2c1CCCC2
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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 C18H17N5O2S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S/c1-25-11-8-6-10(7-9-11)19-17-21-22-18-20-15-14(16(24)23(17)18)12-4-2-3-5-13(12)26-15/h6-9H,2-5H2,1H3,(H,19,21)(H,20,22)InChIKey
BEOAIAXDTJUZNN-UHFFFAOYSA-NSynonyms
880799-39-33((4methoxyphenyl)amino)6789tetrahydro(1)benzothieno(23d)(124)triazolo(43a)pyrimidin5(1H)one
880799393
COC1=CC=C(C=C1)NC2=NNC3=NC4=C(C5=C(S4)CCCC5)C(=O)N32
COc1ccc(cc1)Nc1n(nH)c2n1c(=O)c1c(n2)sc2c1CCCC2
InChI=1SC18H17N5O2Sc125118610(7911)1917212218201514(16(24)23(17)18)12423513(12)2615h69H25H21H3(H1921)(H2022)
MFCD06649651
ZINC000007275727
ZINC07275727
ZINC7275727
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