Vitas-M small molecule compound
dimethyl 3-methyl-5-({[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STK343058
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(cc2)[N+](=O)[O-])sc(c1C)C(=O)OC
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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 C23H16F3N5O7S MW 563.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N5O7S/c1-10-17(21(33)37-2)20(39-18(10)22(34)38-3)28-19(32)14-9-16-27-13(8-15(23(24,25)26)30(16)29-14)11-4-6-12(7-5-11)31(35)36/h4-9H,1-3H3,(H,28,32)InChIKey
WBGKACJHMCHWCM-UHFFFAOYSA-NSynonyms
333765-42-7333765427
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)(N+)(=O)(O))C(F)(F)F)C(=O)OC
COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(cc2)(N+)(=O)(O))sc(c1C)C(=O)OC
DIMETHYL3METHYL5(((5(4NITROPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)CARBONYL)AMINO)THIOPHENE24DICARBOXYLATE
DIMETHYL3METHYL5((5(4NITROPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)THIOPHENE24DICARBOXYLATE
dimethyl3methyl5(5(4nitrophenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)thiophene24dicarboxylate
InChI=1SC23H16F3N5O7Sc11017(21(33)372)20(3918(10)22(34)383)2819(32)149162713(815(23(2425)26)30(16)2914)114612(7511)31(35)36h49H13H3(H2832)
METHYL5(METHOXYCARBONYL)4METHYL2((5(4NITROPHENYL)7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01445171
ZINC000002811457
ZINC2811457
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