Vitas-M small molecule compound
9-tert-butyl-2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK305598
SMILES COc1nn(cc1[N+](=O)[O-])Cc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(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 C20H23N7O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O3S/c1-20(2,3)11-5-6-12-14(7-11)31-19-16(12)17-22-15(23-26(17)10-21-19)9-25-8-13(27(28)29)18(24-25)30-4/h8,10-11H,5-7,9H2,1-4H3InChIKey
RKHJOPWESJOQCE-UHFFFAOYSA-NSynonyms
1005612-77-01005612770
9tertbutyl2((3methoxy4nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C=C(C(=N5)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))Cc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
InChI=1SC20H23N7O3Sc120(23)11561214(711)311916(12)172215(2326(17)102119)925813(27(28)29)18(2425)304h81011H579H214H3
MFCD04045754
ZINC000002786885
ZINC000002786886
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