Vitas-M small molecule compound
(3aR,6aS)-5-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK583128
SMILES COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1OC)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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-26-11-5-7-14(27-2)12(9-11)17-16-18(29-22-17)20(25)23(19(16)24)13-8-10(21)4-6-15(13)28-3/h4-9,16,18H,1-3H3/t16-,18+/m1/s1InChIKey
HEMJQAJNSHUMBM-AEFFLSMTSA-NSynonyms
1164505-13-8(3AR6AS)5(5CHLORO2METHOXYPHENYL)3(25DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(5chloro2methoxyphenyl)3(25dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(5chloro2methoxyphenyl)3(25dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1164505138
COC1=CC(=C(C=C1)OC)C2=NOC3C2C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)OC
COc1ccc(c(c1)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(Cl)ccc1OC)OC
InChI=1SC20H17ClN2O6c126115714(272)12(911)171618(292217)20(25)23(19(16)24)13810(21)4615(13)283h491618H13H3t1618+m1s1
MFCD18245713
ZINC000101262566
ZINC101262566
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