Vitas-M small molecule compound
methyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Catalog ID
STL020320
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(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 C25H21N3O7S MW 507.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7S/c1-13-14(2)36-24(18(13)25(31)34-3)26-22(29)19-20(15-8-7-11-17(12-15)28(32)33)27(35-21(19)23(26)30)16-9-5-4-6-10-16/h4-12,19-21H,1-3H3InChIKey
QAVGYZMLNOINKU-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O))C
COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H21N3O7Sc11314(2)3624(18(13)25(31)343)2622(29)1920(15871117(1215)28(32)33)27(3521(19)23(26)30)1695461016h4121921H13H3
METHYL45DIMETHYL2(3(3NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)THIOPHENE3CARBOXYLATE
methyl45dimethyl2(3(3nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)thiophene3carboxylate
MFCD02970748
ZINC000102912233
ZINC000238923890
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