Vitas-M small molecule compound
2-chloro-6-methoxy-4-{(Z)-[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Catalog ID
STL000174
SMILES COc1cc(/C=C/2\N=C(OC2=O)c2cccc(c2)[N+](=O)[O-])cc(c1OC(=O)C)Cl
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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 C19H13ClN2O7 MW 416.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O7/c1-10(23)28-17-14(20)6-11(8-16(17)27-2)7-15-19(24)29-18(21-15)12-4-3-5-13(9-12)22(25)26/h3-9H,1-2H3/b15-7-InChIKey
SHZLZGXMTBXWSZ-CHHVJCJISA-NSynonyms
(2CHLORO6METHOXY4((Z)(2(3NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)ACETATE
(Z)2chloro6methoxy4((2(3nitrophenyl)5oxooxazol4(5H)ylidene)methyl)phenylacetate
2chloro6methoxy4((Z)(2(3nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1Cl)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)(N+)(=O)(O))OC
COc1cc(C=C2N=C(OC2=O)c2cccc(c2)(N+)(=O)(O))cc(c1OC(=O)C)Cl
InChI=1SC19H13ClN2O7c110(23)281714(20)611(816(17)272)71519(24)2918(2115)1243513(912)22(25)26h39H12H3b157
MFCD01054349
ZINC000002307690
ZINC02307690
ZINC2307690
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