Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK860238
SMILES C1CCc2c(CC1)c1c(s2)ncn2c1nc(n2)CSc1nc2c(o1)cccc2
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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 C20H17N5OS2 MW 407.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5OS2/c1-2-6-12-15(9-3-1)28-19-17(12)18-23-16(24-25(18)11-21-19)10-27-20-22-13-7-4-5-8-14(13)26-20/h4-5,7-8,11H,1-3,6,9-10H2InChIKey
DCWXSEQOVHMPNU-UHFFFAOYSA-NSynonyms
374917-35-82(((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)thio)benzo(d)oxazole
2((13benzoxazol2ylsulfanyl)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
374917358
C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5
InChI=1SC20H17N5OS2c1261215(931)281917(12)182316(2425(18)112119)1027202213745814(13)2620h457811H136910H2
MFCD02236271
ZINC000000894764
ZINC00894764
ZINC894764
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