Vitas-M small molecule compound
N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Catalog ID
STL398510
SMILES COc1ccc(cc1)c1cc(C(F)F)n2c(n1)c(cn2)C(=O)Nc1cc(Sc2ccc(cc2)Cl)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 C27H18ClF2N5O4S MW 581.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClF2N5O4S/c1-39-19-6-2-15(3-7-19)23-13-24(25(29)30)34-26(33-23)22(14-31-34)27(36)32-17-10-18(35(37)38)12-21(11-17)40-20-8-4-16(28)5-9-20/h2-14,25H,1H3,(H,32,36)InChIKey
AQANFRIPVJEMFV-UHFFFAOYSA-NSynonyms
515858-19-2515858192
COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)Cl)(N+)(=O)(O)
COc1ccc(cc1)c1cc(C(F)F)n2c(n1)c(cn2)C(=O)Nc1cc(Sc2ccc(cc2)Cl)cc(c1)(N+)(=O)(O)
InChI=1SC27H18ClF2N5O4Sc139196215(3719)231324(25(29)30)3426(3323)22(143134)27(36)32171018(35(37)38)1221(1117)40208416(28)5920h21425H1H3(H3236)
MFCD02608257
N(3((4CHLOROPHENYL)SULFANYL)5NITROPHENYL)7(DIFLUOROMETHYL)5(4METHOXYPHENYL)PYRAZOLO(15A)PYRIMIDINE3CARBOXAMIDE
N(3(4CHLOROPHENYL)SULFANYL5NITROPHENYL)7(DIFLUOROMETHYL)5(4METHOXYPHENYL)PYRAZOLO(15A)PYRIMIDINE3CARBOXAMIDE
ZINC000002110279
ZINC02110279
ZINC2110279
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