Vitas-M small molecule compound
methyl 2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL399401
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)Cn1cc(c(n1)[N+](=O)[O-])Br
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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 C20H14BrN7O4S MW 528.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN7O4S/c1-10-14-18-23-16(24-27(18)9-22-19(14)33-15(10)20(29)32-2)12-5-3-4-11(6-12)7-26-8-13(21)17(25-26)28(30)31/h3-6,8-9H,7H2,1-2H3InChIKey
WSAUPEISCQNHBD-UHFFFAOYSA-NSynonyms
1005702-46-41005702464
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=CC=C4)CN5C=C(C(=N5)(N+)(=O)(O))Br)C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br
InChI=1SC20H14BrN7O4Sc11014182316(2427(18)92219(14)3315(10)20(29)322)1253411(612)726813(21)17(2526)28(30)31h3689H7H212H3
METHYL2(3((4BROMO3NITRO1HPYRAZOL1YL)METHYL)PHENYL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04133457
ZINC000002799524
ZINC2799524
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