Vitas-M small molecule compound
N-{3-[4-(acetylamino)phenoxy]-5-nitrophenyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Catalog ID
STL400758
SMILES CC(=O)Nc1ccc(cc1)Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1
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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 C28H20F2N6O5 MW 558.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20F2N6O5/c1-16(37)32-18-7-9-21(10-8-18)41-22-12-19(11-20(13-22)36(39)40)33-28(38)23-15-31-35-25(26(29)30)14-24(34-27(23)35)17-5-3-2-4-6-17/h2-15,26H,1H3,(H,32,37)(H,33,38)InChIKey
OCMHRQPYKKTDAG-UHFFFAOYSA-NSynonyms
445245-51-2445245512
CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5
CC(=O)Nc1ccc(cc1)Oc1cc(cc(c1)(N+)(=O)(O))NC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1
InChI=1SC28H20F2N6O5c116(37)32187921(10818)41221219(1120(1322)36(39)40)3328(38)2315313525(26(29)30)1424(3427(23)35)175324617h21526H1H3(H3237)(H3338)
MFCD02243741
N(3(4(acetylamino)phenoxy)5nitrophenyl)7(difluoromethyl)5phenylpyrazolo(15a)pyrimidine3carboxamide
N(3(4ACETAMIDOPHENOXY)5NITROPHENYL)7(DIFLUOROMETHYL)5PHENYLPYRAZOLO(15A)PYRIMIDINE3CARBOXAMIDE
ZINC000001005636
ZINC1005636
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