Vitas-M small molecule compound
methyl 2-[2-(4-chlorophenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL020336
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1ccccc1
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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 C25H21ClN2O5S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S/c1-13-14(2)34-24(18(13)25(31)32-3)27-22(29)19-20(15-7-5-4-6-8-15)28(33-21(19)23(27)30)17-11-9-16(26)10-12-17/h4-12,19-21H,1-3H3InChIKey
QRLPNUQHXAAXTP-UHFFFAOYSA-NSynonyms
1005070-75-61005070756
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C
InChI=1SC25H21ClN2O5Sc11314(2)3424(18(13)25(31)323)2722(29)1920(157546815)28(3321(19)23(27)30)1711916(26)101217h4121921H13H3
METHYL2(2(4CHLOROPHENYL)46DIOXO3PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2(2(4chlorophenyl)46dioxo3phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
METHYL2(2(4CHLOROPHENYL)46DIOXO3PHENYLTETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02970938
ZINC000102862180
ZINC000238924067
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