Vitas-M small molecule compound
(3aS,6aR)-5-(3-chlorophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK639536
SMILES Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NO2)c1cn(nc1C)C
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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 C16H13ClN4O3 MW 344.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN4O3/c1-8-11(7-20(2)18-8)13-12-14(24-19-13)16(23)21(15(12)22)10-5-3-4-9(17)6-10/h3-7,12,14H,1-2H3/t12-,14+/m0/s1InChIKey
GRNLWNQNLYGSGD-GXTWGEPZSA-NSynonyms
1014410-33-3(3aS6aR)5(3chlorophenyl)3(13dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)5(3chlorophenyl)3(13dimethyl1Hpyrazol4yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)5(3chlorophenyl)3(13dimethylpyrazol4yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
1014410333
CC1=NN(C=C1C2=NOC3C2C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C
Clc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)C(=NO2)c1cn(nc1C)C
InChI=1SC16H13ClN4O3c1811(720(2)188)131214(241913)16(23)21(15(12)22)105349(17)610h371214H12H3t1214+m0s1
MFCD18246660
ZINC000101492911
ZINC101492911
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