Vitas-M small molecule compound
N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK968446
SMILES Clc1ccc(cc1)Sc1cc(NC(=O)c2nc3n(n2)c(cc(n3)C)C(F)F)cc(c1)[N+](=O)[O-]
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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 C20H13ClF2N6O3S MW 490.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClF2N6O3S/c1-10-6-16(17(22)23)28-20(24-10)26-18(27-28)19(30)25-12-7-13(29(31)32)9-15(8-12)33-14-4-2-11(21)3-5-14/h2-9,17H,1H3,(H,25,30)InChIKey
SIIZLYILDAGOKN-UHFFFAOYSA-NSynonyms
445245-87-4445245874
CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)Sc1cc(NC(=O)c2nc3n(n2)c(cc(n3)C)C(F)F)cc(c1)(N+)(=O)(O)
InChI=1SC20H13ClF2N6O3Sc110616(17(22)23)2820(2410)2618(2728)19(30)2512713(29(31)32)915(812)33144211(21)3514h2917H1H3(H2530)
MFCD02243232
N(3((4chlorophenyl)sulfanyl)5nitrophenyl)7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carboxamide
N(3(4CHLOROPHENYL)SULFANYL5NITROPHENYL)7(DIFLUOROMETHYL)5METHYL(124)TRIAZOLO(15A)PYRIMIDINE2CARBOXAMIDE
ZINC000001111391
ZINC01111391
ZINC1111391
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