Vitas-M small molecule compound
2-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308530
SMILES C1CCc2c(C1)c1c(s2)ncn2c1nc(n2)c1n[nH]c(c1)c1ccc2c(c1)OCO2
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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 C21H16N6O2S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S/c1-2-4-17-12(3-1)18-20-23-19(26-27(20)9-22-21(18)30-17)14-8-13(24-25-14)11-5-6-15-16(7-11)29-10-28-15/h5-9H,1-4,10H2,(H,24,25)InChIKey
AACFTQMXOUFFMY-UHFFFAOYSA-NSynonyms
1039030-46-01039030460
2(5(13benzodioxol5yl)1Hpyrazol3yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC(=NN5)C6=CC7=C(C=C6)OCO7
C1CCc2c(C1)c1c(s2)ncn2c1nc(n2)c1n(nH)c(c1)c1ccc2c(c1)OCO2
InChI=1SC21H16N6O2Sc1241712(31)18202319(2627(20)92221(18)3017)14813(242514)11561516(711)29102815h59H1410H2(H2425)
MFCD04046768
ZINC000013959929
ZINC13959929
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