Vitas-M small molecule compound
(3aR,6aR)-5-(3-methoxyphenyl)-3-(pyrazin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Catalog ID
STK531117
SMILES COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NN2)C(=O)c1cnccn1
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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 C17H13N5O4 MW 351.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O4/c1-26-10-4-2-3-9(7-10)22-16(24)12-13(20-21-14(12)17(22)25)15(23)11-8-18-5-6-19-11/h2-8,12,14,21H,1H3/t12-,14+/m0/s1InChIKey
NMOZCKQFQXCMBL-GXTWGEPZSA-NSynonyms
(3aR6aR)5(3methoxyphenyl)3(pyrazin2ylcarbonyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aR6aR)5(3methoxyphenyl)3(pyrazine2carbonyl)16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
(3AR6AR)5(3METHOXYPHENYL)3(PYRAZINE2CARBONYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE46DIONE
COC1=CC=CC(=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)C4=NC=CN=C4
COc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)C(=NN2)C(=O)c1cnccn1
InChI=1SC17H13N5O4c126104239(710)2216(24)1213(202114(12)17(22)25)15(23)11818561911h28121421H1H3t1214+m0s1
MFCD18241601
ZINC000018038386
ZINC18038386
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